NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 3-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carbonyl)piperidine-3-carboxylate
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IUPAC Traditional name
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ethyl 3-[(2,4-difluorophenyl)methyl]-1-(6,6-dimethyl-4-oxo-5H-pyran-2-carbonyl)piperidine-3-carboxylate
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Synonyms
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ethyl 3-(2,4-difluorobenzyl)-1-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-yl)carbonyl]-3-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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18.369102
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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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3.3102934
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LogD (pH = 7.4)
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3.3102949
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Log P
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3.3102949
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Molar Refractivity
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111.065 cm3
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Polarizability
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42.133266 Å3
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Polar Surface Area
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72.91 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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true
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H Acceptors
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5
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H Donor
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0
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Log P
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4.53
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LOG S
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-3.93
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Polar Surface Area
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72.91 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