Base information
| Cat. No. | |
| CAS No. | 188113-69-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25BrN2O2S |
| Molecular Weight | 461.415 |
| Exact Mass | 460.082 |
| XLogP3 | 6.226 |
| Mr | 124.742 |
| PSA | 61.55 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)/C=C/S(=O)(=O)c1ccccc1.Br |
