dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4477-0031 |
| Compound Name: | dimethyl 2-[1-(3-fluorobenzoyl)-2,2,8-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 543.65 |
| Molecular Formula: | C26 H22 F N O5 S3 |
| Smiles: | Cc1cccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(c3cccc(c3)F)=O)c12)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5888 |
| logD: | 5.5888 |
| logSw: | -5.6084 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.939 |
| InChI Key: | WXNQWKBFOZOAIG-UHFFFAOYSA-N |