NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{4-[2-(2,6-dimethoxyphenoxy)ethyl]-2-oxopiperazin-1-yl}benzonitrile
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IUPAC Traditional name
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2-{4-[2-(2,6-dimethoxyphenoxy)ethyl]-2-oxopiperazin-1-yl}benzonitrile
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Synonyms
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2-{4-[2-(2,6-dimethoxyphenoxy)ethyl]-2-oxo-1-piperazinyl}benzonitrile
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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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17.507294
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H Acceptors
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6
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H Donor
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0
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LogD (pH = 5.5)
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1.840741
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LogD (pH = 7.4)
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1.9777403
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Log P
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1.979799
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Molar Refractivity
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104.6971 cm3
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Polarizability
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40.520863 Å3
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Polar Surface Area
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75.03 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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0
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Log P
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2.13
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LOG S
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-4.07
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Polar Surface Area
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75.03 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