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5-ethyl-5-{1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]piperidin-4-yl}-3-(2-methylprop-2-en-1-yl)imidazolidine-2,4-dione
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ChemBase ID:
323369
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Molecular Formular:
C25H33N5O4
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Molecular Mass:
467.56062
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Monoisotopic Mass:
467.25325456
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SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2cc(N3C(=O)NCC3)c(cc2)C)CC1)CC)CC(=C)C
Canonical SMILES:
CCC1(NC(=O)N(C1=O)CC(=C)C)C1CCN(CC1)C(=O)c1ccc(c(c1)N1CCNC1=O)C
InChI:
InChI=1S/C25H33N5O4/c1-5-25(22(32)30(15-16(2)3)24(34)27-25)19-8-11-28(12-9-19)21(31)18-7-6-17(4)20(14-18)29-13-10-26-23(29)33/h6-7,14,19H,2,5,8-13,15H2,1,3-4H3,(H,26,33)(H,27,34)
InChIKey:
FFTQOLIJSKLLKM-UHFFFAOYSA-N
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Cite this record
CBID:323369 http://www.chembase.cn/molecule-323369.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-ethyl-5-{1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]piperidin-4-yl}-3-(2-methylprop-2-en-1-yl)imidazolidine-2,4-dione
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IUPAC Traditional name
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5-ethyl-5-{1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]piperidin-4-yl}-3-(2-methylprop-2-en-1-yl)imidazolidine-2,4-dione
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Synonyms
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5-ethyl-5-{1-[4-methyl-3-(2-oxo-1-imidazolidinyl)benzoyl]-4-piperidinyl}-3-(2-methyl-2-propen-1-yl)-2,4-imidazolidinedione
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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11.3492365
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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1.8175895
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LogD (pH = 7.4)
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1.8175421
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Log P
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1.8175904
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Molar Refractivity
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128.2054 cm3
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Polarizability
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48.597496 Å3
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Polar Surface Area
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102.06 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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2
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Log P
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1.54
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LOG S
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-6.15
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Polar Surface Area
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102.06 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent