NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(5-{[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl}thiophen-2-yl)prop-2-yn-1-ol
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IUPAC Traditional name
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3-(5-{[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl}thiophen-2-yl)prop-2-yn-1-ol
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Synonyms
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3-(5-{[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl}-2-thienyl)prop-2-yn-1-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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14.009584
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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-3.7339048
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LogD (pH = 7.4)
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-0.42523474
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Log P
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1.4804236
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Molar Refractivity
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90.3583 cm3
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Polarizability
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35.557747 Å3
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Polar Surface Area
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29.95 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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4
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H Donor
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1
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Log P
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0.15
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LOG S
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-0.65
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Polar Surface Area
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29.95 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