NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-{3-[4-({[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amino}methyl)-2-methoxyphenoxy]-2-hydroxypropyl}piperidin-4-ol
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IUPAC Traditional name
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1-{3-[4-({[2-(3,5-dimethylpyrazol-1-yl)ethyl](methyl)amino}methyl)-2-methoxyphenoxy]-2-hydroxypropyl}piperidin-4-ol
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Synonyms
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1-[3-(4-{[[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amino]methyl}-2-methoxyphenoxy)-2-hydroxypropyl]-4-piperidinol
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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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14.04573
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H Acceptors
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7
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H Donor
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2
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LogD (pH = 5.5)
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-4.3729815
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LogD (pH = 7.4)
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-0.82338786
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Log P
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0.8661817
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Molar Refractivity
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137.9666 cm3
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Polarizability
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49.032494 Å3
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Polar Surface Area
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83.22 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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true
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H Acceptors
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8
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H Donor
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2
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Log P
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0.97
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LOG S
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-2.84
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Polar Surface Area
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83.22 Å2
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Rotatable Bonds
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10
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent