NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
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IUPAC Traditional name
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1-[(6-methyl-4-oxochromen-3-yl)methyl]-4-[(4-methylphenyl)methyl]-1,4-diazepan-5-one
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Synonyms
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4-(4-methylbenzyl)-1-[(6-methyl-4-oxo-4H-chromen-3-yl)methyl]-1,4-diazepan-5-one
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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)
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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2.0171156
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LogD (pH = 7.4)
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3.3095286
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Log P
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3.4282029
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Molar Refractivity
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114.2723 cm3
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Polarizability
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43.627914 Å3
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Polar Surface Area
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49.85 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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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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Log P
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3.7
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LOG S
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-0.43
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Polar Surface Area
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53.76 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