NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4aS,7aR)-1-[4-(hydroxymethyl)benzoyl]-4-methyl-octahydro-6λ6-thieno[3,4-b]piperazine-6,6-dione
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IUPAC Traditional name
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(4aS,7aR)-1-[4-(hydroxymethyl)benzoyl]-4-methyl-hexahydro-6λ6-thieno[3,4-b]piperazine-6,6-dione
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Synonyms
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(4-{[(4aS*,7aR*)-4-methyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}phenyl)methanol
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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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14.890855
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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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-0.9549859
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LogD (pH = 7.4)
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-0.870295
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Log P
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-0.869101
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Molar Refractivity
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82.738 cm3
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Polarizability
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32.801037 Å3
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Polar Surface Area
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77.92 Å2
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Rotatable Bonds
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2
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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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-1.48
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LOG S
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-1.61
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Polar Surface Area
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77.92 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent