860610-47-5
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 |