methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-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-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5542-0149 |
| Compound Name: | methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 485.94 |
| Molecular Formula: | C23 H20 Cl N3 O5 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(Nc1cccc(c1)[Cl])=O)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5437 |
| logD: | 3.4125 |
| logSw: | -4.0655 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.839 |
| InChI Key: | PBTISDHHKZRARB-UHFFFAOYSA-N |