ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0058 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 572.13 |
| Molecular Formula: | C32 H30 Cl N3 O3 S |
| Smiles: | CCc1cccc(C)c1NC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0699 |
| logD: | 2.7265 |
| logSw: | -6.2781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.567 |
| InChI Key: | DPUGTSBOYBLWRO-HHHXNRCGSA-N |