dimethyl 2-(8-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-(8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-(8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4477-0229 |
| Compound Name: | dimethyl 2-(8-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C20 H21 N O5 S3 |
| Smiles: | CCOc1cccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)Nc12)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3459 |
| logD: | 4.3459 |
| logSw: | -4.4584 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.188 |
| InChI Key: | PGFLREIHZJKHJC-UHFFFAOYSA-N |