ethyl 5-cyano-6-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
ethyl 5-cyano-6-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0562 |
| Compound Name: | ethyl 5-cyano-6-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC1=O)SCC(Nc1c(C)cccc1C)=O)c1ccccc1OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9456 |
| logD: | 3.8144 |
| logSw: | -3.9181 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.69 |
| InChI Key: | ZJJMOFVESMLUBK-UHFFFAOYSA-N |