dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8006-6667 |
| Compound Name: | dimethyl 2-[7-methoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 555.69 |
| Molecular Formula: | C27 H25 N O6 S3 |
| Smiles: | Cc1ccc(cc1)C(N1c2cc(ccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9671 |
| logD: | 5.9671 |
| logSw: | -5.5617 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.326 |
| InChI Key: | KOWPQFTUGWWTOL-UHFFFAOYSA-N |