NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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ethyl 4-[3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
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IUPAC Traditional name
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ethyl 4-[3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
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Synonyms
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ethyl 4-{[3-(3-fluoro-4-methoxybenzoyl)-1-piperidinyl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
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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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11.180529
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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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LogD (pH = 5.5)
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3.312678
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LogD (pH = 7.4)
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3.3126159
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Log P
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3.312679
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Molar Refractivity
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115.2555 cm3
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Polarizability
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42.900646 Å3
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Polar Surface Area
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88.7 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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5
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H Donor
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1
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Log P
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3.86
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LOG S
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-5.9
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Polar Surface Area
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88.7 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