dimethyl 2-{8-ethoxy-1-[(4-fluorophenyl)acetyl]-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-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{8-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8009-9189 |
| Compound Name: | dimethyl 2-{8-ethoxy-1-[(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 587.71 |
| Molecular Formula: | C28 H26 F N O6 S3 |
| Smiles: | CCOc1cccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(Cc3ccc(cc3)F)=O)c12)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6421 |
| logD: | 5.6421 |
| logSw: | -5.5267 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.622 |
| InChI Key: | HRYPAKSIIRLDNV-UHFFFAOYSA-N |