799771-49-6
Product Name:
(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methylanilino)prop-2-enenitrile
Formula:
C22H13BrFN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 482.3 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 480.98959 g/mol |
| Monoisotopic Mass | 480.98959 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 782 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |