NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(4H-1,2,4-triazol-4-yl)piperidine-1-carbonyl]-3,4-dihydroquinazolin-4-one
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IUPAC Traditional name
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2-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
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Synonyms
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2-{[4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl]carbonyl}quinazolin-4(3H)-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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7.7645984
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-0.6742752
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LogD (pH = 7.4)
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-0.8069673
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Log P
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-0.671919
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Molar Refractivity
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90.3891 cm3
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Polarizability
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32.10335 Å3
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Polar Surface Area
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92.48 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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-0.71
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LOG S
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-2.27
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Polar Surface Area
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96.77 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent