NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(4-{[2-(2-phenylethynyl)phenyl]methyl}piperazin-1-yl)propanamide
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IUPAC Traditional name
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3-(4-{[2-(2-phenylethynyl)phenyl]methyl}piperazin-1-yl)propanamide
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Synonyms
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3-{4-[2-(phenylethynyl)benzyl]piperazin-1-yl}propanamide
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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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16.3449
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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-0.013180134
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LogD (pH = 7.4)
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1.7508966
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Log P
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2.790885
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Molar Refractivity
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101.0936 cm3
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Polarizability
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40.78362 Å3
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Polar Surface Area
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49.57 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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3
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H Donor
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1
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Log P
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1.87
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LOG S
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-3.33
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Polar Surface Area
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49.57 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