Base information
| Cat. No. | |
| CAS No. | 1097016-59-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12BrN3S |
| Molecular Weight | 322.223 |
| Exact Mass | 320.994 |
| XLogP3 | 4.3437 |
| Mr | 78.58 |
| PSA | 58.43 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1nn2c(s1)nc(c2)c1ccc(cc1)C(C)C |
