NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one
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IUPAC Traditional name
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1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one
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Synonyms
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1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-methylbenzyl)-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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1.4941593
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LogD (pH = 7.4)
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3.1291854
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Log P
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3.4800467
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Molar Refractivity
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105.1675 cm3
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Polarizability
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41.045544 Å3
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Polar Surface Area
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49.33 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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3.75
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LOG S
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-0.06
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Polar Surface Area
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49.33 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