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5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
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ChemBase ID:
350130
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Molecular Formular:
C26H32N4O6
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Molecular Mass:
496.55548
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Monoisotopic Mass:
496.23218476
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SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)Cc2cc(c(c(c2)OC)OC)OC)CC1)C)Cc1ccncc1
Canonical SMILES:
COc1cc(CC(=O)N2CCC(CC2)C2(C)NC(=O)N(C2=O)Cc2ccncc2)cc(c1OC)OC
InChI:
InChI=1S/C26H32N4O6/c1-26(24(32)30(25(33)28-26)16-17-5-9-27-10-6-17)19-7-11-29(12-8-19)22(31)15-18-13-20(34-2)23(36-4)21(14-18)35-3/h5-6,9-10,13-14,19H,7-8,11-12,15-16H2,1-4H3,(H,28,33)
InChIKey:
DHVZGZIGJDQZGQ-UHFFFAOYSA-N
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Cite this record
CBID:350130 http://www.chembase.cn/molecule-350130.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
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IUPAC Traditional name
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5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
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Synonyms
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5-methyl-3-(4-pyridinylmethyl)-5-{1-[(3,4,5-trimethoxyphenyl)acetyl]-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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11.109492
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H Acceptors
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7
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H Donor
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1
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LogD (pH = 5.5)
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0.8911673
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LogD (pH = 7.4)
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0.9989048
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Log P
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1.0006057
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Molar Refractivity
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131.5089 cm3
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Polarizability
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50.90378 Å3
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Polar Surface Area
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110.3 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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7
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H Donor
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1
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Log P
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1.94
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LOG S
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-4.89
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Polar Surface Area
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110.3 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