methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0583 |
| Compound Name: | methyl 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 560.03 |
| Molecular Formula: | C26 H26 Cl N3 O7 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=C(C#N)C(C(C(N1)=O)C(=O)OC)c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8656 |
| logD: | 3.7344 |
| logSw: | -4.2856 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.273 |
| InChI Key: | YSNGWBPWLIADHZ-UHFFFAOYSA-N |