NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-(pyrimidin-2-yl)phenoxy}acetic acid
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IUPAC Traditional name
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2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-(pyrimidin-2-yl)phenoxyacetic acid
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Synonyms
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{2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy}acetic acid
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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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3.2105696
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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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LogD (pH = 5.5)
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-1.0341966
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LogD (pH = 7.4)
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-1.0695276
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Log P
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-1.0339942
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Molar Refractivity
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109.6928 cm3
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Polarizability
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38.891827 Å3
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Polar Surface Area
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78.79 Å2
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Rotatable Bonds
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6
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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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0.89
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LOG S
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-4.63
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Polar Surface Area
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78.79 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent