NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{[4-(hydroxymethyl)oxan-4-yl]methyl}-1-methyl-3-[2-(methylsulfanyl)phenyl]urea
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IUPAC Traditional name
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1-{[4-(hydroxymethyl)oxan-4-yl]methyl}-1-methyl-3-[2-(methylsulfanyl)phenyl]urea
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Synonyms
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N-{[4-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]methyl}-N-methyl-N'-[2-(methylthio)phenyl]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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12.475056
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.4719964
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LogD (pH = 7.4)
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1.471993
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Log P
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1.4719964
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Molar Refractivity
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91.6163 cm3
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Polarizability
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34.71417 Å3
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Polar Surface Area
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61.8 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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3
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H Donor
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2
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Log P
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0.85
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LOG S
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-2.29
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Polar Surface Area
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61.8 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