dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-0678 |
| Compound Name: | dimethyl 4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C16 H17 N O4 S |
| Smiles: | COC(C1=CNC=C(C1c1ccc(cc1)SC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9455 |
| logD: | 2.3961 |
| logSw: | -3.2871 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.455 |
| InChI Key: | GBIQHZKFQYTOHW-UHFFFAOYSA-N |