dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1355 |
| Compound Name: | dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 634.59 |
| Molecular Formula: | C27 H24 Br N O6 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1cccc(c1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.5418 |
| logD: | 6.5418 |
| logSw: | -5.7812 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.906 |
| InChI Key: | MEIBMYKOKGDOBV-UHFFFAOYSA-N |