ethyl 5-cyano-6-methyl-2-[(prop-2-yn-1-yl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-methyl-2-[(prop-2-yn-1-yl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-methyl-2-[(prop-2-yn-1-yl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0317 |
| Compound Name: | ethyl 5-cyano-6-methyl-2-[(prop-2-yn-1-yl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C17 H16 N2 O2 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(C)NC=1SCC#C)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3042 |
| logD: | -0.2811 |
| logSw: | -3.372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.874 |
| InChI Key: | WDHCRMBRRITNSS-AWEZNQCLSA-N |