NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-2-{4-[2-(phenylsulfanyl)acetamido]-1H-pyrazol-1-yl}acetamide
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IUPAC Traditional name
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N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-{4-[2-(phenylsulfanyl)acetamido]pyrazol-1-yl}acetamide
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Synonyms
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N-(1-{2-[[(1-ethyl-1H-imidazol-2-yl)methyl](methyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-2-(phenylthio)acetamide
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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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11.537803
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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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0.4738869
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LogD (pH = 7.4)
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0.991624
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Log P
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1.0083207
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Molar Refractivity
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126.4697 cm3
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Polarizability
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43.257763 Å3
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Polar Surface Area
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85.05 Å2
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Rotatable Bonds
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9
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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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1
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Log P
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1.38
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LOG S
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-4.86
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Polar Surface Area
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85.05 Å2
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Rotatable Bonds
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8
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent