dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-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-(3-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3448-4920 |
| Compound Name: | dimethyl 2-[6-methoxy-2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 586.66 |
| Molecular Formula: | C26 H22 N2 O8 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cc(ccc2N1C(c1cccc(c1)[N+]([O-])=O)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2513 |
| logD: | 5.2513 |
| logSw: | -5.2829 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 97.707 |
| InChI Key: | BWMRILIDTABPFS-UHFFFAOYSA-N |