HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259336Generated: November 3, 2026
4-[(3-Butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
https://huagongshe.com/en/chemical/5259336
Identifiers & Physical Properties
| CAS No. | 7018-25-9 |
|---|
| Molecular formula | C28H22F2N2O4S |
|---|
| Average molar mass | 520.5 g/mol |
|---|
| Monoisotopic mass | 520.12683468 g/mol |
|---|
| SMILES | CCCCOc1cccc(C(O)=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)C2c2ccccc2F)c1 |
|---|
| InChIKey | ADUIOVZXWGIGCP-UHFFFAOYSA-N |
|---|
| PubChem CID | 5259336 |
|---|
| DTXSID | DTXSID30990420 |
|---|
Chemical & Physical Properties
| XLogP | 6.7 |
|---|
| Topological polar surface area | 108 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 7 |
|---|
| Heavy atoms | 37 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 888 |
|---|
![4-[(3-Butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione molecular structure](/img/chemical/5259336.png)