diethyl 2-[1-(4-tert-butylbenzoyl)-6-methoxy-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-methoxy-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-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | 3389-2382 |
| Compound Name: | diethyl 2-[1-(4-tert-butylbenzoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-2,3-dihydroquinolin-4(1H)-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate |
| Molecular Weight: | 625.83 |
| Molecular Formula: | C32 H35 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)OC)=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0281 |
| logD: | 8.0281 |
| logSw: | -5.7343 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 63.486 |
| InChI Key: | SURGZQDRHATBBW-UHFFFAOYSA-N |