NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
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IUPAC Traditional name
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2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
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Synonyms
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2-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)butanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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10.249654
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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4.4123025
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LogD (pH = 7.4)
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4.4117265
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Log P
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4.4123096
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Molar Refractivity
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77.0832 cm3
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Polarizability
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28.665052 Å3
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Polar Surface Area
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52.89 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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IRRITANT
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Show
data source
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MSDS Link
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PATENTS
PATENTS
PubChem Patent
Google Patent