NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
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IUPAC Traditional name
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1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
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Synonyms
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1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(4-pyridinylmethoxy)-1,4-diazepan-2-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
供应商提供(Chembridge)
JChem
Log P
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4.19
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LOG S
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-4.62
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Polar Surface Area
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62.74 Å2
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Rotatable Bonds
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6
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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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Molar Refractivity
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120.0169 cm3
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Polarizability
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46.9685 Å3
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Polar Surface Area
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62.74 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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Acid pKa
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18.402088
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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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LogD (pH = 5.5)
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2.5833766
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LogD (pH = 7.4)
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2.686273
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Log P
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2.6878042
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent