dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylbenzene-1-sulfonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylbenzene-1-sulfonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylbenzene-1-sulfonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-8825 |
| Compound Name: | dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(4-methylbenzene-1-sulfonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 605.77 |
| Molecular Formula: | C27 H27 N O7 S4 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2S(c1ccc(C)cc1)(=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.2548 |
| logD: | 6.2548 |
| logSw: | -5.5785 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 80.522 |
| InChI Key: | QGTUIZCNAQZWGL-UHFFFAOYSA-N |