ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0092 |
| Compound Name: | ethyl 6-{[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 550.03 |
| Molecular Formula: | C28 H24 Cl N3 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1cc(ccc1OC)[Cl])=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1245 |
| logD: | 0.4655 |
| logSw: | -5.5905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.474 |
| InChI Key: | QBYFOESLMIIIGQ-XMMPIXPASA-N |