2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0540 |
| Compound Name: | 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 526.05 |
| Molecular Formula: | C27 H28 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1C)=O)c1ccccc1[Cl])C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6707 |
| logD: | 1.8631 |
| logSw: | -4.7839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.672 |
| InChI Key: | CGPSJFPBZBFJEB-RUZDIDTESA-N |