diethyl 2-[6-methoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[6-methoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[6-methoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3785-0326 |
| Compound Name: | diethyl 2-[6-methoxy-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 599.74 |
| Molecular Formula: | C29 H29 N O7 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3cccc(c3)OC)=O)c3ccc(cc23)OC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2117 |
| logD: | 6.2117 |
| logSw: | -5.5986 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 71.029 |
| InChI Key: | INXVFIVEGKRXAL-UHFFFAOYSA-N |