methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0052 |
| Compound Name: | methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 544.42 |
| Molecular Formula: | C24 H22 Br N3 O5 S |
| Smiles: | CCOc1ccccc1C1C(C(NC(=C1C#N)SCC(Nc1ccc(cc1)[Br])=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1893 |
| logD: | 4.0581 |
| logSw: | -4.2243 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.506 |
| InChI Key: | FCDGHDWMQVDXJU-UHFFFAOYSA-N |