NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 4-[5-(furan-3-yl)-3-methyl-1H,4H-pyrazolo[3,4-d]imidazol-1-yl]benzoate
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IUPAC Traditional name
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methyl 4-[5-(furan-3-yl)-3-methyl-4H-pyrazolo[3,4-d]imidazol-1-yl]benzoate
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Synonyms
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methyl 4-[5-(3-furyl)-3-methylimidazo[4,5-c]pyrazol-1(4H)-yl]benzoate
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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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8.689015
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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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LogD (pH = 5.5)
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2.6472833
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LogD (pH = 7.4)
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2.6370454
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Log P
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2.6561983
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Molar Refractivity
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97.7641 cm3
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Polarizability
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34.376514 Å3
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Polar Surface Area
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85.94 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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3.92
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LOG S
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-4.89
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Polar Surface Area
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85.94 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent