methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4552-4201 |
| Compound Name: | methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 499.97 |
| Molecular Formula: | C24 H22 Cl N3 O5 S |
| Smiles: | CCOc1ccc(cc1)C1C(C(NC(=C1C#N)SCC(Nc1cccc(c1)[Cl])=O)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9303 |
| logD: | 3.7991 |
| logSw: | -4.4871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.419 |
| InChI Key: | NEIMBNCHOQELHE-UHFFFAOYSA-N |