dimethyl 2-[1-(4-chloro-3-nitrobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[1-(4-chloro-3-nitrobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(4-chloro-3-nitrobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1241 |
| Compound Name: | dimethyl 2-[1-(4-chloro-3-nitrobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 635.13 |
| Molecular Formula: | C27 H23 Cl N2 O8 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.908 |
| logD: | 5.908 |
| logSw: | -5.9918 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 96.986 |
| InChI Key: | OVDCZWXGSSHOHD-UHFFFAOYSA-N |