NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,4S)-5-[2-(2-chlorophenyl)acetyl]-2-(3,4-difluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-3-one
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IUPAC Traditional name
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(1S,4S)-5-[2-(2-chlorophenyl)acetyl]-2-(3,4-difluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-3-one
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Synonyms
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(1S*,4S*)-5-[(2-chlorophenyl)acetyl]-2-(3,4-difluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-3-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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15.162845
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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2.9058366
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LogD (pH = 7.4)
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2.9058366
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Log P
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2.9058366
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Molar Refractivity
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92.0395 cm3
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Polarizability
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35.08412 Å3
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Polar Surface Area
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40.62 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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H Acceptors
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2
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H Donor
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0
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Log P
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4.44
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LOG S
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-4.24
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Polar Surface Area
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40.62 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent