dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3456-3419 |
| Compound Name: | dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 622.74 |
| Molecular Formula: | C30 H26 N2 O7 S3 |
| Smiles: | Cc1cc2C(=C3SC(=C(C(=O)OC)S3)C(=O)OC)C(C(C)(C)N(C(CN3C(c4ccccc4C3=O)=O)=O)c2cc1C)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2111 |
| logD: | 5.2111 |
| logSw: | -5.0468 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 85.779 |
| InChI Key: | VRNCZOJDQOACLA-UHFFFAOYSA-N |