Base information
| Cat. No. | |
| CAS No. | 768350-54-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17BrFN3O2 |
| Molecular Weight | 454.292 |
| Exact Mass | 453.049 |
| XLogP3 | 5.9356 |
| Mr | 114.211 |
| PSA | 56.27 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 49 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(ncnc2cc1OCc1ccccc1)Nc1ccc(cc1F)Br |
