NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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6-(benzyloxy)-4-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methyl}-1-(oxan-4-ylmethyl)-1,4-diazepan-2-one
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IUPAC Traditional name
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6-(benzyloxy)-4-{[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methyl}-1-(oxan-4-ylmethyl)-1,4-diazepan-2-one
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Synonyms
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6-(benzyloxy)-4-[4-(3-hydroxy-3-methyl-1-butyn-1-yl)benzyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-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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13.715974
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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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2.1182737
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LogD (pH = 7.4)
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3.3295574
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Log P
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3.424208
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Molar Refractivity
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140.4565 cm3
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Polarizability
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55.238605 Å3
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Polar Surface Area
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62.24 Å2
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Rotatable Bonds
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9
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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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4.01
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LOG S
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-4.68
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Polar Surface Area
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62.24 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent