Base information
| Cat. No. | |
| CAS No. | 177834-92-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H27BrN2O2S |
| Molecular Weight | 463.431 |
| Exact Mass | 462.098 |
| XLogP3 | 5.7978 |
| Mr | 124.424 |
| PSA | 61.55 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)CCS(=O)(=O)c1ccccc1.Br |
