NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(4-{[4-(oxan-4-yl)piperazin-1-yl]methyl}thiophen-2-yl)ethan-1-one
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IUPAC Traditional name
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1-(4-{[4-(oxan-4-yl)piperazin-1-yl]methyl}thiophen-2-yl)ethanone
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Synonyms
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1-(4-{[4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl]methyl}-2-thienyl)ethanone
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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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14.913759
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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-1.262577
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LogD (pH = 7.4)
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0.50029105
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Log P
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1.1934772
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Molar Refractivity
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86.419 cm3
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Polarizability
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33.434402 Å3
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Polar Surface Area
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32.78 Å2
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Rotatable Bonds
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4
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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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0
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Log P
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1.81
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LOG S
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-1.99
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Polar Surface Area
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32.78 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent