NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(2-chloro-4-fluorophenyl)-1-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}ethan-1-one
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IUPAC Traditional name
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2-(2-chloro-4-fluorophenyl)-1-{4-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]piperidin-1-yl}ethanone
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Synonyms
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(1-{1-[(2-chloro-4-fluorophenyl)acetyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)methanol
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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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13.902027
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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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1.1691381
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LogD (pH = 7.4)
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1.1691389
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Log P
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1.169139
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Molar Refractivity
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99.0775 cm3
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Polarizability
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33.349293 Å3
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Polar Surface Area
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71.25 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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1.68
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LOG S
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-3.21
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Polar Surface Area
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71.25 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