NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 1-{[4-(methylsulfanyl)phenyl]carbamoyl}-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
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IUPAC Traditional name
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ethyl 1-{[4-(methylsulfanyl)phenyl]carbamoyl}-4-(oxan-2-ylmethyl)piperidine-4-carboxylate
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Synonyms
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ethyl 1-({[4-(methylthio)phenyl]amino}carbonyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate
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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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13.468607
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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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3.6459565
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LogD (pH = 7.4)
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3.6459563
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Log P
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3.6459565
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Molar Refractivity
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117.6437 cm3
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Polarizability
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45.17812 Å3
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Polar Surface Area
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67.87 Å2
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Rotatable Bonds
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7
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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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1
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Log P
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3.05
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LOG S
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-6.16
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Polar Surface Area
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67.87 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