NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(4-methoxyphenyl)methyl]-4-[2-(methylsulfanyl)pyridine-3-carbonyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
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IUPAC Traditional name
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1-[(4-methoxyphenyl)methyl]-4-[2-(methylsulfanyl)pyridine-3-carbonyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
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Synonyms
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1-(4-methoxybenzyl)-4-{[2-(methylthio)-3-pyridinyl]carbonyl}-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
JChem
供应商提供(Chembridge)
Acid pKa
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18.388556
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H Acceptors
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6
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H Donor
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0
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LogD (pH = 5.5)
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2.2048016
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LogD (pH = 7.4)
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2.3079681
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Log P
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2.3095024
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Molar Refractivity
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135.8217 cm3
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Polarizability
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52.044315 Å3
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Polar Surface Area
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84.86 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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0
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Log P
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3.46
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LOG S
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-3.11
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Polar Surface Area
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84.86 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