NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(3-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}phenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
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IUPAC Traditional name
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1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}phenoxy)propan-2-ol
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Synonyms
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1-(3,4-dihydro-2(1H)-isoquinolinyl)-3-(3-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}phenoxy)-2-propanol
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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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14.065339
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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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-3.0648959
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LogD (pH = 7.4)
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0.4782396
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Log P
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2.0666602
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Molar Refractivity
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125.3101 cm3
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Polarizability
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48.82379 Å3
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Polar Surface Area
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59.41 Å2
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Rotatable Bonds
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9
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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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2.93
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LOG S
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-1.17
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Polar Surface Area
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59.41 Å2
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Rotatable Bonds
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9
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent