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339100-63-9

339100-63-9 structural image
Product Name: ETHYL 4-(4-CHLOROPHENYL)-1-(4-FLUOROPHENYL)-6-METHYL-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
Formula: C22H19ClFN3O2
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COMPUTED DESCRIPTORS

Molecular Weight 411.9 g/mol
XLogP3 5.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 411.1149827 g/mol
Monoisotopic Mass 411.1149827 g/mol
Topological Polar Surface Area 56.2 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 630
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes