ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-propyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-propyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-propyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0791 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-2-propyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Smiles: | CCCC1=C(C(C(C#N)=C(N1)SCC(Nc1ccccc1C)=O)c1ccccc1[Cl])C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0183 |
| logD: | 2.7632 |
| logSw: | -5.9326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.643 |
| InChI Key: | ISEMLSMTBOUGAK-XMMPIXPASA-N |