Base information
| Cat. No. | |
| CAS No. | 211364-06-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H22BrN3O5 |
| Molecular Weight | 488.331 |
| Exact Mass | 487.074 |
| XLogP3 | 4.9614 |
| Mr | 125.973 |
| PSA | 104.46 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 55 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COc1ccccc1/C(=C(/C(=O)N1CCCCC1)\NC(=O)c1ccc(cc1)[N+](=O)[O-])/Br |
