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339100-78-6

339100-78-6 structural image
Product Name: ETHYL 4-(4-CHLOROPHENYL)-1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-6-METHYL-4,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
Formula: C22H17Cl2F3N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 497.3 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 496.0680657 g/mol
Monoisotopic Mass 496.0680657 g/mol
Topological Polar Surface Area 69 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 760
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