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896840-50-9

896840-50-9 structural image
Product Name: 3-methyl-6-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Formula: C23H20N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 416.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 416.14845513 g/mol
Monoisotopic Mass 416.14845513 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 742
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes