NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 2-[4-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine-1-carbonyl}amino)phenyl]acetate
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IUPAC Traditional name
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ethyl 2-(4-{4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonylamino}phenyl)acetate
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Synonyms
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ethyl {4-[({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}carbonyl)amino]phenyl}acetate
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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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13.393767
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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0.6082075
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LogD (pH = 7.4)
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1.1939977
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Log P
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1.2151783
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Molar Refractivity
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108.0576 cm3
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Polarizability
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40.820015 Å3
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Polar Surface Area
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79.7 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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5
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H Donor
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1
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Log P
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1.21
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LOG S
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-3.04
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Polar Surface Area
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79.7 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