NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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({1-ethyl-3-[2-(methylsulfanyl)ethyl]-1H-1,2,4-triazol-5-yl}(3-fluorophenyl)methyl)dimethylamine
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IUPAC Traditional name
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({2-ethyl-5-[2-(methylsulfanyl)ethyl]-1,2,4-triazol-3-yl}(3-fluorophenyl)methyl)dimethylamine
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Synonyms
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1-{1-ethyl-3-[2-(methylthio)ethyl]-1H-1,2,4-triazol-5-yl}-1-(3-fluorophenyl)-N,N-dimethylmethanamine
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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)
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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3.0696478
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LogD (pH = 7.4)
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3.6375837
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Log P
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3.6527944
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Molar Refractivity
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103.0337 cm3
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Polarizability
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34.653873 Å3
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Polar Surface Area
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33.95 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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3
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H Donor
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0
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Log P
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3.19
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LOG S
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-3.27
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Polar Surface Area
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33.95 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