dimethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 2932-0362 |
| Compound Name: | dimethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C22 H23 N O5 S3 |
| Smiles: | CC(C)C(N1c2ccccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6276 |
| logD: | 4.6276 |
| logSw: | -4.5744 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.054 |
| InChI Key: | XEEKCSCMCXWVAF-UHFFFAOYSA-N |