Base information
| Cat. No. | |
| CAS No. | 1533519-96-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H16BrN3O2S |
| Molecular Weight | 406.297 |
| Exact Mass | 405.015 |
| XLogP3 | 4.3122 |
| Mr | 99.4448 |
| PSA | 93.31 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCc1ccc(c2c1cccc2)n1c(Br)nnc1SCC(=O)O |
