dimethyl 2-[1-(but-2-enoyl)-6-methoxy-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)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-[1-(but-2-enoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | Y020-5001 |
| Compound Name: | dimethyl 2-[1-(but-2-enoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 505.63 |
| Molecular Formula: | C23 H23 N O6 S3 |
| Smiles: | C/C=C/C(N1c2ccc(cc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7555 |
| logD: | 4.7555 |
| logSw: | -4.6462 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 64.07 |
| InChI Key: | VHYIRJKTAOFMQU-UHFFFAOYSA-N |