dimethyl 2-[1-(but-2-enoyl)-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-(but-2-enoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(but-2-enoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-4999 |
| Compound Name: | dimethyl 2-[1-(but-2-enoyl)-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 475.6 |
| Molecular Formula: | C22 H21 N O5 S3 |
| Smiles: | C/C=C/C(N1c2ccccc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5706 |
| logD: | 4.5706 |
| logSw: | -4.5491 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 56.526 |
| InChI Key: | LHVWZLOQQJPOEM-UHFFFAOYSA-N |