diethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3391-6987 |
| Compound Name: | diethyl 2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-2,2,6-trimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 588.72 |
| Molecular Formula: | C27 H28 N2 O7 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(CN3C(CCC3=O)=O)=O)c3ccc(C)cc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5749 |
| logD: | 3.5749 |
| logSw: | -3.7721 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 85.766 |
| InChI Key: | WLXSWVXVIZLOHL-UHFFFAOYSA-N |