NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(5-{[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl}-1-methyl-1H-pyrrol-3-yl)ethan-1-one
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IUPAC Traditional name
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1-(5-{[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl}-1-methylpyrrol-3-yl)ethanone
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Synonyms
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1-(5-{[(3S*,4R*)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl}-1-methyl-1H-pyrrol-3-yl)ethanone
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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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15.89689
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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-1.2563397
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LogD (pH = 7.4)
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0.34761065
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Log P
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2.0311587
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Molar Refractivity
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88.7406 cm3
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Polarizability
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34.282585 Å3
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Polar Surface Area
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28.48 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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3
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H Donor
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0
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Log P
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1.45
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LOG S
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-1.56
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Polar Surface Area
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28.48 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