dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-2785 |
| Compound Name: | dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 593.66 |
| Molecular Formula: | C27 H22 F3 N O5 S3 |
| Smiles: | Cc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1ccc(cc1)C(F)(F)F)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.5533 |
| logD: | 6.5533 |
| logSw: | -5.6922 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.782 |
| InChI Key: | ZIMLIKJNVLEXDL-UHFFFAOYSA-N |