ethyl 5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0081 |
| Compound Name: | ethyl 5-cyano-6-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | CCc1cccc(C)c1NC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5403 |
| logD: | 0.8813 |
| logSw: | -5.4335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.146 |
| InChI Key: | DJWARDLOBUDTHT-RUZDIDTESA-N |