NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-2-one
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IUPAC Traditional name
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1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-4-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-2-one
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Synonyms
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6-(4-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-4-[3-(trifluoromethyl)benzoyl]-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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18.433172
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H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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1.9329062
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LogD (pH = 7.4)
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2.0358026
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Log P
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2.0373337
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Molar Refractivity
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123.0976 cm3
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Polarizability
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46.219227 Å3
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Polar Surface Area
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71.97 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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0
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Log P
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3.1
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LOG S
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-3.31
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Polar Surface Area
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71.97 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent