dimethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5781 |
| Compound Name: | dimethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 505.67 |
| Molecular Formula: | C24 H27 N O5 S3 |
| Smiles: | CC(C)CC(N1c2cc(C)ccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5434 |
| logD: | 5.5434 |
| logSw: | -5.4315 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.526 |
| InChI Key: | AQUQBYKFRWIRMN-UHFFFAOYSA-N |