dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-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-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1095 |
| Compound Name: | dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 674.77 |
| Molecular Formula: | C33 H26 N2 O8 S3 |
| Smiles: | CC1(C)C(C(=C2SC(=C(C(=O)OC)S2)C(=O)OC)c2cc(ccc2N1C(CN1C(c2cccc3cccc(C1=O)c23)=O)=O)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3716 |
| logD: | 5.3716 |
| logSw: | -6.2046 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 92.685 |
| InChI Key: | QJHHJARMWLFRBW-UHFFFAOYSA-N |