dimethyl 2-[1-(2-ethylbutanoyl)-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-(2-ethylbutanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(2-ethylbutanoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3652-0135 |
| Compound Name: | dimethyl 2-[1-(2-ethylbutanoyl)-2,2-dimethyl-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: | CCC(CC)C(N1c2ccccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.529 |
| logD: | 5.529 |
| logSw: | -5.4791 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 57.054 |
| InChI Key: | MVHITKRUCBDDMF-UHFFFAOYSA-N |