HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[Bis(5-chlorothiophen-2-yl)methylidene]-1-azabicyclo[2.2.2]octane
3-[bis(5-chloro-2-thienyl)methylene]quinuclidine
![3-[Bis(5-chlorothiophen-2-yl)methylidene]-1-azabicyclo[2.2.2]octane molecular structure](/img/chemical/178895531.png)
Identifiers & Physical Properties
| CAS No. | 340014-86-0 |
|---|---|
| Molecular formula | C16H15Cl2NS2 |
| Average molar mass | 356.3 g/mol |
| SMILES | Clc1ccc(C(=C2CN3CCC2CC3)c2ccc(Cl)s2)s1 |
| InChIKey | TUJPGGHLZPGCAJ-UHFFFAOYSA-N |
| ChEMBL | CHEMBL2094849 |
Chemical & Physical Properties
| XLogP | 5.6 |
|---|---|
| Topological polar surface area | 59.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 412 |