NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{4-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl}ethan-1-one
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IUPAC Traditional name
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1-{4-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl}ethanone
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Synonyms
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1-(4-{[(1R*,3S*)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]non-7-yl]carbonyl}-3,5-dimethyl-1H-pyrrol-2-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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12.4676695
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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-0.621363
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LogD (pH = 7.4)
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-0.6213661
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Log P
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-0.6213628
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Molar Refractivity
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98.1552 cm3
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Polarizability
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37.103302 Å3
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Polar Surface Area
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102.86 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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3
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Log P
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-0.65
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LOG S
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-2.61
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Polar Surface Area
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102.86 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent