dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-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-(3-chloro-1-benzothiophene-2-carbonyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3456-2019 |
| Compound Name: | dimethyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 646.22 |
| Molecular Formula: | C29 H24 Cl N O6 S4 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(c1c(c2ccccc2s1)[Cl])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 7.522 |
| logD: | 7.522 |
| logSw: | -6.5006 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.652 |
| InChI Key: | IJESUCLORDKNMP-UHFFFAOYSA-N |