NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(3-methylphenyl)-5-({3-[2-(methylsulfanyl)benzoyl]piperidin-1-yl}methyl)pyrimidine
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IUPAC Traditional name
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2-(3-methylphenyl)-5-({3-[2-(methylsulfanyl)benzoyl]piperidin-1-yl}methyl)pyrimidine
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Synonyms
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(1-{[2-(3-methylphenyl)-5-pyrimidinyl]methyl}-3-piperidinyl)[2-(methylthio)phenyl]methanone
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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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16.190105
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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3.5798101
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LogD (pH = 7.4)
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5.0942893
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Log P
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5.3228326
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Molar Refractivity
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136.5212 cm3
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Polarizability
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48.84319 Å3
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Polar Surface Area
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46.09 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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H Acceptors
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4
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H Donor
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0
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Log P
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4.94
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LOG S
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-5.18
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Polar Surface Area
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46.09 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