dimethyl 2-[1-(4-fluorobenzoyl)-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-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-2288 |
| Compound Name: | dimethyl 2-[1-(4-fluorobenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 529.63 |
| Molecular Formula: | C25 H20 F N O5 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(c1ccc(cc1)F)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2337 |
| logD: | 5.2337 |
| logSw: | -5.1394 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.782 |
| InChI Key: | XWBMZTOGVMTBCK-UHFFFAOYSA-N |