NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-({3-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]-3-oxopropyl}(methyl)amino)-1λ6-thiolane-1,1-dione
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IUPAC Traditional name
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3-({3-[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-yl]-3-oxopropyl}(methyl)amino)-1λ6-thiolane-1,1-dione
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Synonyms
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[1-[N-(1,1-dioxidotetrahydro-3-thienyl)-N-methyl-beta-alanyl]-4-(2-phenoxyethyl)-4-piperidinyl]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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15.101733
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-1.7511114
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LogD (pH = 7.4)
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-0.34188965
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Log P
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-0.1756385
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Molar Refractivity
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116.6687 cm3
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Polarizability
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46.565903 Å3
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Polar Surface Area
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87.15 Å2
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Rotatable Bonds
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9
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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1
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Log P
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0.23
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LOG S
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-1.88
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Polar Surface Area
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87.15 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent