Base information
| Cat. No. | |
| CAS No. | 856243-80-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H18BrN3O |
| Molecular Weight | 384.27 |
| Exact Mass | 383.063 |
| XLogP3 | 4.79958 |
| Mr | 98.1077 |
| PSA | 65.78 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCC[C@@H](c1ccccc1)NC(=O)/C(=C/c1cccc(n1)Br)/C#N |
