NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3S,4S)-1-({5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl}methyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
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IUPAC Traditional name
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(3S,4S)-1-({5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl}methyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
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Synonyms
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(3S*,4S*)-4-(4-methylpiperazin-1-yl)-1-({5-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-2-furyl}methyl)pyrrolidin-3-ol
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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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14.18468
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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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-3.8806767
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LogD (pH = 7.4)
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-0.77024066
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Log P
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0.20560537
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Molar Refractivity
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104.2029 cm3
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Polarizability
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39.733196 Å3
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Polar Surface Area
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73.8 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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7
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H Donor
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1
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Log P
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-0.83
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LOG S
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-0.24
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Polar Surface Area
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73.8 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