ethyl 5-cyano-6-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0096 |
| Compound Name: | ethyl 5-cyano-6-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C29 H27 N3 O6 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1cc(ccc1OC)OC)=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5551 |
| logD: | -0.104 |
| logSw: | -4.3493 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.018 |
| InChI Key: | XITLEULMMSPBKV-RUZDIDTESA-N |