NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-({[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methyl}(methyl)amino)ethan-1-ol
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IUPAC Traditional name
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2-({[(3R,4R)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methyl}(methyl)amino)ethanol
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Synonyms
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2-[({(3R*,4R*)-4-(hydroxymethyl)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methyl)(methyl)amino]ethanol
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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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15.195683
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-3.7103274
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LogD (pH = 7.4)
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-0.98288405
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Log P
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0.8314373
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Molar Refractivity
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87.3715 cm3
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Polarizability
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32.07857 Å3
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Polar Surface Area
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59.83 Å2
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Rotatable Bonds
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7
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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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2
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Log P
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1.19
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LOG S
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-1.74
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Polar Surface Area
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59.83 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent