NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(3R,4R)-3-(hydroxymethyl)-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-1-yl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
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IUPAC Traditional name
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1-[(3R,4R)-3-(hydroxymethyl)-4-{[4-(hydroxymethyl)piperidin-1-yl]methyl}pyrrolidin-1-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
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Synonyms
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{1-[((3R*,4R*)-4-(hydroxymethyl)-1-{[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}pyrrolidin-3-yl)methyl]piperidin-4-yl}methanol
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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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15.140409
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H Acceptors
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6
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H Donor
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2
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LogD (pH = 5.5)
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-5.1739454
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LogD (pH = 7.4)
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-3.6254234
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Log P
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-1.9295675
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Molar Refractivity
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104.6188 cm3
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Polarizability
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39.45473 Å3
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Polar Surface Area
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94.72 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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6
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H Donor
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2
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Log P
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-0.88
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LOG S
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-2.55
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Polar Surface Area
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94.72 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