NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(1-methyl-1H-1,2,3-triazol-4-yl)-1-[1-(thian-4-yl)piperidin-4-yl]urea
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IUPAC Traditional name
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3-(1-methyl-1,2,3-triazol-4-yl)-1-[1-(thian-4-yl)piperidin-4-yl]urea
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Synonyms
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N-(1-methyl-1H-1,2,3-triazol-4-yl)-N'-[1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]urea
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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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10.931591
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.732081
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LogD (pH = 7.4)
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-1.3641595
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Log P
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0.47905582
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Molar Refractivity
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101.9725 cm3
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Polarizability
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33.77915 Å3
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Polar Surface Area
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75.08 Å2
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Rotatable Bonds
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3
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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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2
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Log P
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0.19
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LOG S
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-3.04
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Polar Surface Area
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75.08 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent