Base information
| Cat. No. | |
| CAS No. | 116-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13BrN4O2S |
| Molecular Weight | 357.226 |
| Exact Mass | 355.994 |
| XLogP3 | 3.9739 |
| Mr | 81.1821 |
| PSA | 106.35 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)c(c(n1)C)Br |
