dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-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-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 4477-1053 |
| Compound Name: | dimethyl 2-{1-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 638.74 |
| Molecular Formula: | C30 H26 N2 O8 S3 |
| Smiles: | CC(C(N1c2ccc(cc2C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)C(C1(C)C)=S)OC)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1121 |
| logD: | 5.1121 |
| logSw: | -5.1451 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 93.191 |
| InChI Key: | XOBZMWYOEIFBOS-AWEZNQCLSA-N |