Base information
| Cat. No. | |
| CAS No. | 1151516-14-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H13BrN3NaO2S |
| Molecular Weight | 426.263 |
| Exact Mass | 424.981 |
| XLogP3 | 2.9024 |
| Mr | 95.3885 |
| PSA | 96.14 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 40 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CSc1nnc(n1c1ccc(c2c1cccc2)C1CC1)Br.[Na+] |
