ethyl 5-cyano-4-(furan-2-yl)-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-4-(furan-2-yl)-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-4-(furan-2-yl)-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0089 |
| Compound Name: | ethyl 5-cyano-4-(furan-2-yl)-6-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1c(C)cc(C)cc1C)=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3849 |
| logD: | 0.7259 |
| logSw: | -5.2796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.146 |
| InChI Key: | NXLYWFZSFMVANJ-RUZDIDTESA-N |