Base information
| Cat. No. | |
| CAS No. | 1221791-57-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11BrN2O2S |
| Molecular Weight | 327.197 |
| Exact Mass | 325.972 |
| XLogP3 | 3.8862 |
| Mr | 75.4699 |
| PSA | 93.45 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1sc2c(c1N)cc(c(n2)C1CC1)Br |
