dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[(thiophen-2-yl)acetyl]-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-[(thiophen-2-yl)acetyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[(thiophen-2-yl)acetyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8013-0542 |
| Compound Name: | dimethyl 2-{2,2,6-trimethyl-3-sulfanylidene-1-[(thiophen-2-yl)acetyl]-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 545.72 |
| Molecular Formula: | C25 H23 N O5 S4 |
| Smiles: | Cc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(Cc1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2959 |
| logD: | 5.2959 |
| logSw: | -5.3517 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.273 |
| InChI Key: | VEUBXJLAQUXIQQ-UHFFFAOYSA-N |