diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 8010-4726 |
| Compound Name: | diethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 639.85 |
| Molecular Formula: | C33 H37 N O6 S3 |
| Smiles: | CCOC(C1=C(C(=O)OCC)SC(=C2C(C(C)(C)N(C(c3ccc(cc3)C(C)(C)C)=O)c3ccc(cc23)OCC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.4156 |
| logD: | 8.4156 |
| logSw: | -5.7193 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.065 |
| InChI Key: | HCHAFMNKWUMOFQ-UHFFFAOYSA-N |