dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-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-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1462 |
| Compound Name: | dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 600.73 |
| Molecular Formula: | C28 H28 N2 O7 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2ccccc2N1C(CN1C(C2CCCCC2C1=O)=O)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.779 |
| logD: | 3.779 |
| logSw: | -4.0818 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 85.971 |
| InChI Key: | WXADZJAHZGWVSX-UHFFFAOYSA-N |