ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0037 |
| Compound Name: | ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C29 H24 Cl N3 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccccc1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9926 |
| logD: | 1.4861 |
| logSw: | -6.3518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.963 |
| InChI Key: | WEBQPCRPTGEMBS-RUZDIDTESA-N |