NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[3-(4-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-oxopropyl]methanesulfonamide
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IUPAC Traditional name
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N-[3-(4-{5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl}piperidin-1-yl)-3-oxopropyl]methanesulfonamide
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Synonyms
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N-[3-(4-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-3-oxopropyl]methanesulfonamide (non-preferred name)
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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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11.218037
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-3.4429765
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LogD (pH = 7.4)
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-2.4554808
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Log P
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-2.4040835
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Molar Refractivity
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97.5375 cm3
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Polarizability
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37.526066 Å3
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Polar Surface Area
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100.43 Å2
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Rotatable Bonds
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6
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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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1
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Log P
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-1.23
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LOG S
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-2.17
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Polar Surface Area
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100.43 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