ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0318 |
| Compound Name: | ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C22 H20 N2 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1C)SCC(c1cccs1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4347 |
| logD: | 1.5707 |
| logSw: | -4.2182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.849 |
| InChI Key: | JINSNTKBRMHQMZ-FQEVSTJZSA-N |