NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(2,6-dichlorophenyl)methyl]-5-methanesulfonyl-4-(piperidin-3-yl)pyrimidine
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IUPAC Traditional name
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2-[(2,6-dichlorophenyl)methyl]-5-methanesulfonyl-4-(piperidin-3-yl)pyrimidine
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Synonyms
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2-(2,6-dichlorobenzyl)-5-(methylsulfonyl)-4-piperidin-3-ylpyrimidine
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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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19.551882
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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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-0.50922817
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LogD (pH = 7.4)
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0.866058
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Log P
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2.7087424
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Molar Refractivity
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100.5509 cm3
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Polarizability
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39.606987 Å3
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Polar Surface Area
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71.95 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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2.04
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LOG S
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-2.85
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Polar Surface Area
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71.95 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