NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-{1-[(2-chloro-6-fluorophenyl)methyl]-3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl}piperidin-2-one
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IUPAC Traditional name
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5-{2-[(2-chloro-6-fluorophenyl)methyl]-5-(oxan-4-yl)-1,2,4-triazol-3-yl}piperidin-2-one
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Synonyms
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5-[1-(2-chloro-6-fluorobenzyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-2-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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12.941452
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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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2.587962
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LogD (pH = 7.4)
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2.5880013
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Log P
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2.588003
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Molar Refractivity
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111.8862 cm3
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Polarizability
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38.03279 Å3
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Polar Surface Area
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69.04 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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0.34
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LOG S
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-3.66
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Polar Surface Area
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69.04 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