dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 2932-0962 |
| Compound Name: | dimethyl 2-[7-ethoxy-2,2-dimethyl-3-sulfanylidene-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C22 H20 F3 N O6 S3 |
| Smiles: | CCOc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(C(F)(F)F)=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1715 |
| logD: | 5.1715 |
| logSw: | -5.1112 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.177 |
| InChI Key: | MXACKSCCBDZBOC-UHFFFAOYSA-N |