Base information
| Cat. No. | |
| CAS No. | 52918-63-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H19Br2NO3 |
| Molecular Weight | 505.199 |
| Exact Mass | 502.973 |
| XLogP3 | 6.49018 |
| Mr | 115.113 |
| PSA | 59.32 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br |
