dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3652-0074 |
| Compound Name: | dimethyl 2-[6-methoxy-2,2-dimethyl-1-(phenylcarbamoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C26 H24 N2 O6 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cc(ccc2N1C(Nc1ccccc1)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.4401 |
| logD: | 5.4401 |
| logSw: | -5.5074 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.147 |
| InChI Key: | ISSVHXLUAGISIV-UHFFFAOYSA-N |