HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259247Generated: November 3, 2026
2-(4-butoxy-3-ethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
https://huagongshe.com/en/chemical/5259247
Identifiers & Physical Properties
| CAS No. | 7050-68-2 |
|---|
| Molecular formula | C35H32FN3O7S2 |
|---|
| Average molar mass | 689.8 g/mol |
|---|
| Monoisotopic mass | 689.16657088 g/mol |
|---|
| SMILES | CCCCOc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1OCC |
|---|
| InChIKey | WRTTZHDSGCEMIC-UHFFFAOYSA-N |
|---|
| PubChem CID | 5259247 |
|---|
| DTXSID | DTXSID00413873 |
|---|
Chemical & Physical Properties
| XLogP | 8 |
|---|
| Topological polar surface area | 178 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 12 |
|---|
| Rotatable bonds | 14 |
|---|
| Heavy atoms | 48 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,150 |
|---|
![2-(4-butoxy-3-ethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one molecular structure](/img/chemical/5259247.png)