ethyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0108 |
| Compound Name: | ethyl 6-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 520.01 |
| Molecular Formula: | C27 H22 Cl N3 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccc(cc1)[Cl])=O)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4664 |
| logD: | 0.8073 |
| logSw: | -5.9734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.541 |
| InChI Key: | ZFJWFVBONXUEME-HSZRJFAPSA-N |