methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0454 |
| Compound Name: | methyl 6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 488.39 |
| Molecular Formula: | C23 H19 Cl2 N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)[Cl])=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4253 |
| logD: | 2.6176 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.154 |
| InChI Key: | ANKKRAKTMXCJCD-OAQYLSRUSA-N |