Base information
| Cat. No. | |
| CAS No. | 1454906-51-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12BrN3O2S |
| Molecular Weight | 294.169 |
| Exact Mass | 292.983 |
| XLogP3 | 2.7162 |
| Mr | 61.1237 |
| PSA | 92.35 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)NCc1nnc(s1)Br |