dimethyl 2-[2,2-dimethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2,2-dimethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2,2-dimethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-4994 |
| Compound Name: | dimethyl 2-[2,2-dimethyl-3-sulfanylidene-1-(thiophene-2-carbonyl)-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 517.66 |
| Molecular Formula: | C23 H19 N O5 S4 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(c1cccs1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1323 |
| logD: | 5.1323 |
| logSw: | -5.106 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.8 |
| InChI Key: | CPDGLIIJCBTUAD-UHFFFAOYSA-N |