NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-{[3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl}-6-methyl-4H-chromen-4-one
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IUPAC Traditional name
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3-{[3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl}-6-methylchromen-4-one
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Synonyms
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3-{[3-(2-hydroxyethyl)-4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl}-6-methyl-4H-chromen-4-one
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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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15.921745
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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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-3.167959
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LogD (pH = 7.4)
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-0.4244851
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Log P
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1.3099784
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Molar Refractivity
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116.517 cm3
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Polarizability
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45.056 Å3
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Polar Surface Area
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56.25 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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6
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H Donor
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1
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Log P
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1.79
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LOG S
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-0.8
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Polar Surface Area
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60.16 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