2-methoxyethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
2-methoxyethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0421 |
| Compound Name: | 2-methoxyethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 546.47 |
| Molecular Formula: | C26 H25 Cl2 N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1C)[Cl])=O)c1ccccc1[Cl])C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9954 |
| logD: | 2.1878 |
| logSw: | -4.991 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.672 |
| InChI Key: | CURSBTOVTVIJMS-XMMPIXPASA-N |