dimethyl 2-[1-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(cyclopropanecarbonyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3807-5013 |
| Compound Name: | dimethyl 2-[1-(cyclopropanecarbonyl)-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 489.63 |
| Molecular Formula: | C23 H23 N O5 S3 |
| Smiles: | Cc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(C1CC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8927 |
| logD: | 4.8927 |
| logSw: | -4.6898 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.305 |
| InChI Key: | QBPSZUJLKPDOAT-UHFFFAOYSA-N |