NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R,3S)-7-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-methoxy-7-azaspiro[3.5]nonan-1-ol
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IUPAC Traditional name
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(1R,3S)-7-{[2-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-methoxy-7-azaspiro[3.5]nonan-1-ol
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Synonyms
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(1R*,3S*)-7-[2-fluoro-5-(trifluoromethyl)benzyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
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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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14.681841
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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0.81450343
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LogD (pH = 7.4)
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2.2706592
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Log P
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2.4621785
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Molar Refractivity
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82.4939 cm3
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Polarizability
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30.972612 Å3
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Polar Surface Area
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32.7 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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3
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H Donor
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1
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Log P
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2.06
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LOG S
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-2.48
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Polar Surface Area
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32.7 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