dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-4995 |
| Compound Name: | dimethyl 2-[2,2,6,7-tetramethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 545.72 |
| Molecular Formula: | C25 H23 N O5 S4 |
| Smiles: | Cc1cc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(c3cccs3)=O)c2cc1C)=S |
| Stereo: | ACHIRAL |
| logP: | 6.1684 |
| logD: | 6.1684 |
| logSw: | -5.6016 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.8 |
| InChI Key: | LEZCXNJHNWZCDH-UHFFFAOYSA-N |