875712-88-2
Product Name:
benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester
Formula:
C17H12F5N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.29 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 401.07988206 g/mol |
| Monoisotopic Mass | 401.07988206 g/mol |
| Topological Polar Surface Area | 97.8 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 621 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |