HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[5-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]-4-(trifluoromethyl)-2-pyrimidinyl]benzamide
4-[5-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]-4-(trifluoromethyl)-2-pyrimidinyl]benzamide
![4-[5-[1-(4-fluorophenyl)-1H-tetraazol-5-yl]-4-(trifluoromethyl)-2-pyrimidinyl]benzamide molecular structure](/img/chemical/178819832.png)
Identifiers & Physical Properties
| CAS No. | 943425-94-3 |
|---|---|
| Molecular formula | C19H11F4N7O |
| Average molar mass | 429.3 g/mol |
| SMILES | NC(=O)c1ccc(-c2ncc(-c3nnnn3-c3ccc(F)cc3)c(C(F)(F)F)n2)cc1 |
| InChIKey | YJJRGYYSJMQFMC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 10 |
| Rotatable bonds | 4 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 623 |