ethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0056 |
| Compound Name: | ethyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 534.03 |
| Molecular Formula: | C28 H24 Cl N3 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1cccc(c1C)[Cl])=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.679 |
| logD: | 1.02 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.844 |
| InChI Key: | ZDKSKEWWRQYASY-XMMPIXPASA-N |