NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(8aS)-2-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}-octahydropyrrolo[1,2-a]piperazine-1,4-dione
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IUPAC Traditional name
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(8aS)-2-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}-tetrahydro-3H-pyrrolo[1,2-a]piperazine-1,4-dione
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Synonyms
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(8aS)-2-[2-fluoro-5-(trifluoromethyl)benzyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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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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19.22968
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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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1.5995629
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LogD (pH = 7.4)
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1.5995629
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Log P
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1.5995629
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Molar Refractivity
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73.4894 cm3
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Polarizability
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27.07054 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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0.84
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LOG S
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-2.33
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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