NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 4-[(5-{[2-(adamantan-1-yl)ethyl](methyl)amino}-2-oxoazepan-1-yl)methyl]benzoate
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IUPAC Traditional name
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methyl 4-[(5-{[2-(adamantan-1-yl)ethyl](methyl)amino}-2-oxoazepan-1-yl)methyl]benzoate
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Synonyms
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methyl 4-({5-[[2-(1-adamantyl)ethyl](methyl)amino]-2-oxo-1-azepanyl}methyl)benzoate
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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)
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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0.73798716
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LogD (pH = 7.4)
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1.2898117
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Log P
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4.224939
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Molar Refractivity
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131.2867 cm3
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Polarizability
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51.39584 Å3
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Polar Surface Area
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49.85 Å2
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Rotatable Bonds
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8
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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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4.63
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LOG S
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-4.03
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Polar Surface Area
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49.85 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent