NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[4-(1-{[4-(hydroxymethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)thiophen-2-yl]ethan-1-one
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IUPAC Traditional name
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1-[4-(1-{[4-(hydroxymethyl)phenyl]methyl}-1,2,3-triazol-4-yl)thiophen-2-yl]ethanone
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Synonyms
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1-(4-{1-[4-(hydroxymethyl)benzyl]-1H-1,2,3-triazol-4-yl}-2-thienyl)ethanone
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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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14.609758
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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2.480957
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LogD (pH = 7.4)
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2.480958
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Log P
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2.480958
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Molar Refractivity
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96.8038 cm3
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Polarizability
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33.43725 Å3
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Polar Surface Area
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68.01 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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H Acceptors
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4
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H Donor
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1
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Log P
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1.0
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LOG S
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-2.34
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Polar Surface Area
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68.01 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent