NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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IUPAC Traditional name
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4-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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Synonyms
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3-[(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
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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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15.076838
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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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3.3017104
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LogD (pH = 7.4)
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3.3020155
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Log P
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3.3020194
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Molar Refractivity
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93.8829 cm3
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Polarizability
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34.89476 Å3
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Polar Surface Area
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52.9 Å2
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Rotatable Bonds
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5
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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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2.85
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LOG S
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-4.1
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Polar Surface Area
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55.12 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent