dimethyl 2-(1-benzoyl-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-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4477-0013 |
| Compound Name: | dimethyl 2-(1-benzoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 555.69 |
| Molecular Formula: | C27 H25 N O6 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1ccccc1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6719 |
| logD: | 5.6719 |
| logSw: | -5.5763 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.906 |
| InChI Key: | JHBTVPBYGAHGBO-UHFFFAOYSA-N |