NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethan-1-one
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IUPAC Traditional name
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1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
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Synonyms
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(3S*,4R*)-1-[(2-methoxyphenoxy)acetyl]-N,N-dimethyl-4-(4-methylphenyl)-3-pyrrolidinamine
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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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16.561457
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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-0.0405793
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LogD (pH = 7.4)
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1.7027031
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Log P
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2.8696914
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Molar Refractivity
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106.8229 cm3
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Polarizability
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41.621998 Å3
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Polar Surface Area
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42.01 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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0
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Log P
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2.75
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LOG S
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-4.24
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Polar Surface Area
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42.01 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