NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,5R)-3-{2-[4-(hydroxymethyl)phenyl]acetyl}-6-(3-methylbut-2-en-1-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
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IUPAC Traditional name
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(1S,5R)-3-{2-[4-(hydroxymethyl)phenyl]acetyl}-6-(3-methylbut-2-en-1-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
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Synonyms
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(1S*,5R*)-3-{[4-(hydroxymethyl)phenyl]acetyl}-6-(3-methyl-2-buten-1-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
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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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15.00748
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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1.6029694
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LogD (pH = 7.4)
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1.6029696
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Log P
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1.6029696
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Molar Refractivity
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102.46 cm3
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Polarizability
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39.28084 Å3
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Polar Surface Area
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60.85 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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3
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H Donor
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1
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Log P
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1.91
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LOG S
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-3.43
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Polar Surface Area
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60.85 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