ethyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1207 |
| Compound Name: | ethyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 559.39 |
| Molecular Formula: | C23 H19 Br N4 O6 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.871 |
| logD: | 3.7399 |
| logSw: | -3.9934 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.956 |
| InChI Key: | DEECJHPJGGIUDO-UHFFFAOYSA-N |