dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y021-0014 |
| Compound Name: | dimethyl 2-[1-(4-fluorobenzoyl)-2,2,6-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: | Cc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1ccc(cc1)F)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.7097 |
| logD: | 5.7097 |
| logSw: | -5.4801 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.782 |
| InChI Key: | FXOZEGZWVKPURE-UHFFFAOYSA-N |