ethyl 5-cyano-4-(furan-2-yl)-6-[(2-oxo-2-propoxyethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-4-(furan-2-yl)-6-[(2-oxo-2-propoxyethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-4-(furan-2-yl)-6-[(2-oxo-2-propoxyethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2016 |
| Compound Name: | ethyl 5-cyano-4-(furan-2-yl)-6-[(2-oxo-2-propoxyethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C24 H24 N2 O5 S |
| Smiles: | CCCOC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4818 |
| logD: | -0.1772 |
| logSw: | -4.112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.117 |
| InChI Key: | MDZWAAFNLSEHIE-HXUWFJFHSA-N |