dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(pyridine-3-carbonyl)-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-(pyridine-3-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(pyridine-3-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3390-0122 |
| Compound Name: | dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(pyridine-3-carbonyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C26 H24 N2 O6 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1cccnc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4844 |
| logD: | 4.4844 |
| logSw: | -4.1903 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 73.424 |
| InChI Key: | QNNNZKFZSWBZMT-UHFFFAOYSA-N |