Base information
| Cat. No. | |
| CAS No. | 413599-62-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H16BrFN6O2 |
| Molecular Weight | 459.272 |
| Exact Mass | 458.05 |
| XLogP3 | 4.0271 |
| Mr | 108.894 |
| PSA | 86.98 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(ncnc2cc1OCCn1nncc1)Nc1ccc(cc1F)Br |
