NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6-(benzyloxy)-4-[(2-methyl-1H-imidazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
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IUPAC Traditional name
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6-(benzyloxy)-4-[(2-methyl-1H-imidazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
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Synonyms
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6-(benzyloxy)-4-[(2-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-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)
Acid pKa
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13.442399
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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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LogD (pH = 5.5)
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-0.09946849
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LogD (pH = 7.4)
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1.0866717
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Log P
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1.1916424
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Molar Refractivity
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114.9872 cm3
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Polarizability
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44.61707 Å3
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Polar Surface Area
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74.35 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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2.49
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LOG S
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-2.4
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Polar Surface Area
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74.35 Å2
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Rotatable Bonds
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7
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent