NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-{3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-oxopropyl}-5-{[4-(methylsulfanyl)phenyl]methyl}pyrrolidin-2-one
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IUPAC Traditional name
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5-{3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-oxopropyl}-5-{[4-(methylsulfanyl)phenyl]methyl}pyrrolidin-2-one
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Synonyms
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5-{3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-3-oxopropyl}-5-[4-(methylthio)benzyl]-2-pyrrolidinone
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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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14.065697
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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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LogD (pH = 5.5)
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1.8488727
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LogD (pH = 7.4)
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1.8494303
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Log P
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1.8494375
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Molar Refractivity
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132.8301 cm3
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Polarizability
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50.744713 Å3
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Polar Surface Area
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78.43 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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4
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H Donor
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1
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Log P
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1.83
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LOG S
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-4.32
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Polar Surface Area
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78.43 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent