NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(butan-2-yl)-N-ethyl-4-oxo-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,4-dihydropyridine-3-carboxamide
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IUPAC Traditional name
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N-ethyl-4-oxo-1-(sec-butyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyridine-3-carboxamide
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Synonyms
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1-sec-butyl-N-ethyl-4-oxo-5-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1,4-dihydro-3-pyridinecarboxamide
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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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15.337007
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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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3.156741
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LogD (pH = 7.4)
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3.1572242
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Log P
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3.1572304
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Molar Refractivity
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124.3565 cm3
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Polarizability
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45.56017 Å3
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Polar Surface Area
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72.96 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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3
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H Donor
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1
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Log P
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1.44
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LOG S
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-6.69
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Polar Surface Area
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74.65 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