NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(azepan-1-yl)-3-(2-methoxy-4-{[(2-methoxyethyl)(methyl)amino]methyl}phenoxy)propan-2-ol
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IUPAC Traditional name
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1-(azepan-1-yl)-3-(2-methoxy-4-{[(2-methoxyethyl)(methyl)amino]methyl}phenoxy)propan-2-ol
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Synonyms
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1-(1-azepanyl)-3-(2-methoxy-4-{[(2-methoxyethyl)(methyl)amino]methyl}phenoxy)-2-propanol
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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)
Log P
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2.235569
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Molar Refractivity
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109.2952 cm3
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Polarizability
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42.936577 Å3
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Polar Surface Area
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54.4 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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true
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Acid pKa
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14.079024
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-3.7354064
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LogD (pH = 7.4)
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-0.4636034
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Log P
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2.78
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LOG S
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-1.4
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Polar Surface Area
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54.4 Å2
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Rotatable Bonds
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9
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H Acceptors
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6
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H Donor
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1
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent