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3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
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ChemBase ID:
321694
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Molecular Formular:
C24H26FN3O4
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Molecular Mass:
439.4793432
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Monoisotopic Mass:
439.19073455
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SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2occc2)CC1)Cc1ccc(F)cc1)CC1CC1
Canonical SMILES:
Fc1ccc(cc1)CC1(NC(=O)N(C1=O)CC1CC1)C1CCN(CC1)C(=O)c1ccco1
InChI:
InChI=1S/C24H26FN3O4/c25-19-7-5-16(6-8-19)14-24(22(30)28(23(31)26-24)15-17-3-4-17)18-9-11-27(12-10-18)21(29)20-2-1-13-32-20/h1-2,5-8,13,17-18H,3-4,9-12,14-15H2,(H,26,31)
InChIKey:
MONMXMWXUDEGRM-UHFFFAOYSA-N
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Cite this record
CBID:321694 http://www.chembase.cn/molecule-321694.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
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IUPAC Traditional name
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3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(furan-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
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Synonyms
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3-(cyclopropylmethyl)-5-(4-fluorobenzyl)-5-[1-(2-furoyl)-4-piperidinyl]-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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10.493537
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.6265013
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LogD (pH = 7.4)
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2.6261597
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Log P
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2.6265056
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Molar Refractivity
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114.7805 cm3
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Polarizability
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43.550888 Å3
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Polar Surface Area
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82.86 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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1
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Log P
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2.16
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LOG S
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-5.29
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Polar Surface Area
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82.86 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent