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860610-47-5

860610-47-5 structural image
Product Name: ETHYL 1-METHYL-4-[3-[(METHYLSULFONYL)AMINO]-1-(TRIFLUOROMETHYL)PROPOXY]-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
Formula: C15H19F3N4O5S
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COMPUTED DESCRIPTORS

Molecular Weight 424.4 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 9
Exact Mass 424.10282538 g/mol
Monoisotopic Mass 424.10282538 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 643
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