NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(3R,4R)-1-(2,6-difluoro-3-methoxybenzoyl)-4-{[ethyl(methyl)amino]methyl}pyrrolidin-3-yl]methanol
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IUPAC Traditional name
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[(3R,4R)-1-(2,6-difluoro-3-methoxybenzoyl)-4-{[ethyl(methyl)amino]methyl}pyrrolidin-3-yl]methanol
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Synonyms
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((3R*,4R*)-1-(2,6-difluoro-3-methoxybenzoyl)-4-{[ethyl(methyl)amino]methyl}pyrrolidin-3-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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15.417324
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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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-2.5697093
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LogD (pH = 7.4)
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-1.2684971
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Log P
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0.8100247
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Molar Refractivity
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88.4452 cm3
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Polarizability
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33.112278 Å3
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Polar Surface Area
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53.01 Å2
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Rotatable Bonds
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6
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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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-0.19
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LOG S
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-2.84
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Polar Surface Area
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53.01 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent