HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-{[(6-Ethoxy-1,3-benzothiazol-2-yl)thio]acetyl}-2,2,4-trimethyl-1,2-dihydroquinoline
Ethanone, 2-[(6-ethoxy-2-benzothiazolyl)thio]-1-(2,2,4-trimethyl-1(2H)-quinolinyl)- · 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
![1-{[(6-Ethoxy-1,3-benzothiazol-2-yl)thio]acetyl}-2,2,4-trimethyl-1,2-dihydroquinoline molecular structure](/img/chemical/178677752.png)
Identifiers & Physical Properties
| CAS No. | 375355-78-5 |
|---|---|
| Molecular formula | C23H24N2O2S2 |
| Average molar mass | 424.6 g/mol |
| Monoisotopic mass | 424.12792036 g/mol |
| SMILES | CCOc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)sc2c1 |
| InChIKey | MAHVBGHEFDKTOP-UHFFFAOYSA-N |
| PubChem CID | 1045452 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 96 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 638 |