HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Bromophenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
![3-(4-Bromophenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one molecular structure](/img/chemical/78320167.png)
Identifiers & Physical Properties
| Molecular formula | C18H11BrN2OS |
|---|---|
| Average molar mass | 383.3 g/mol |
| Monoisotopic mass | 381.97755 g/mol |
| SMILES | O=c1c2scc(-c3ccccc3)c2ncn1-c1ccc(Br)cc1 |
| InChIKey | UPSDDPSRJZGYQY-UHFFFAOYSA-N |
| PubChem CID | 78320167 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 60.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 472 |