NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 4-{5-chloro-2-[(pyridin-3-ylformamido)methyl]-2,3-dihydro-1-benzofuran-7-yl}benzoate
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IUPAC Traditional name
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methyl 4-{5-chloro-2-[(pyridin-3-ylformamido)methyl]-2,3-dihydro-1-benzofuran-7-yl}benzoate
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Synonyms
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methyl 4-(5-chloro-2-{[(3-pyridinylcarbonyl)amino]methyl}-2,3-dihydro-1-benzofuran-7-yl)benzoate
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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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13.811365
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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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3.823246
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LogD (pH = 7.4)
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3.828277
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Log P
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3.828342
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Molar Refractivity
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113.3745 cm3
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Polarizability
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44.55467 Å3
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Polar Surface Area
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77.52 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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1
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Log P
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4.88
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LOG S
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-6.93
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Polar Surface Area
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77.52 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent