dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-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]-6-ethoxy-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]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-2309 |
| Compound Name: | dimethyl 2-{1-[(1,3-dioxooctahydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 644.79 |
| Molecular Formula: | C30 H32 N2 O8 S3 |
| Smiles: | CCOc1ccc2c(c1)C(=C1SC(=C(C(=O)OC)S1)C(=O)OC)C(C(C)(C)N2C(CN1C(C2CCCCC2C1=O)=O)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3514 |
| logD: | 4.3514 |
| logSw: | -4.5124 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 93.095 |
| InChI Key: | ZUTQPMBLKAMTSD-UHFFFAOYSA-N |