NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4aR,7aS)-1-(2-hydroxyethyl)-4-[2-(1H-indol-1-yl)acetyl]-octahydro-6λ6-thieno[3,4-b]piperazine-6,6-dione
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IUPAC Traditional name
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(4aR,7aS)-1-(2-hydroxyethyl)-4-[2-(indol-1-yl)acetyl]-hexahydro-6λ6-thieno[3,4-b]piperazine-6,6-dione
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Synonyms
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2-[(4aR*,7aS*)-4-(1H-indol-1-ylacetyl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanol
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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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15.592457
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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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-0.71915615
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LogD (pH = 7.4)
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-0.64997214
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Log P
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-0.6490148
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Molar Refractivity
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97.026 cm3
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Polarizability
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40.022667 Å3
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Polar Surface Area
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82.85 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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5
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H Donor
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1
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Log P
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0.95
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LOG S
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-2.76
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Polar Surface Area
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82.85 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