diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-1064 |
| Compound Name: | diethyl 2-[2,2,6-trimethyl-1-(4-nitrobenzoyl)-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 598.72 |
| Molecular Formula: | C28 H26 N2 O7 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3ccc(cc3)[N+]([O-])=O)=O)c3ccc(C)cc23)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4504 |
| logD: | 6.4504 |
| logSw: | -5.5764 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 89.323 |
| InChI Key: | MEKOYLJROUFUSE-UHFFFAOYSA-N |