NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]piperazin-1-yl}-1,3-benzothiazole
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IUPAC Traditional name
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2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]piperazin-1-yl}-1,3-benzothiazole
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Synonyms
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2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-piperazinyl}-1,3-benzothiazole
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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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13.286626
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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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2.816402
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LogD (pH = 7.4)
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4.0559125
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Log P
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4.153098
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Molar Refractivity
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102.3955 cm3
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Polarizability
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40.455887 Å3
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Polar Surface Area
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48.05 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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3
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H Donor
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1
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Log P
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2.39
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LOG S
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-2.82
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Polar Surface Area
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48.05 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