693231-60-6
Product Name:
ethyl 6-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Formula:
C23H19BrFN3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 532.4 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 531.02637 g/mol |
| Monoisotopic Mass | 531.02637 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 837 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |