NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-{4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1,2-dihydropyridin-2-one
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IUPAC Traditional name
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5-{4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}-1H-pyridin-2-one
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Synonyms
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5-({4-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)pyridin-2(1H)-one
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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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10.587162
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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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LogD (pH = 5.5)
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0.475949
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LogD (pH = 7.4)
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0.4761508
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Log P
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0.4764065
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Molar Refractivity
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114.6367 cm3
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Polarizability
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39.03278 Å3
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Polar Surface Area
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80.12 Å2
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Rotatable Bonds
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4
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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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-0.2
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LOG S
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-2.99
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Polar Surface Area
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83.88 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent