dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1358 |
| Compound Name: | dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 594.55 |
| Molecular Formula: | C26 H21 Cl2 N O5 S3 |
| Smiles: | Cc1ccc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(c3ccc(cc3[Cl])[Cl])=O)c2c1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.6841 |
| logD: | 6.6841 |
| logSw: | -6.4926 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.782 |
| InChI Key: | BKEQRWNPXKGDAP-UHFFFAOYSA-N |