Base information
| Cat. No. | |
| CAS No. | 1089179-58-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25BrN2O3 |
| Molecular Weight | 445.35 |
| Exact Mass | 444.105 |
| XLogP3 | 0.0934 |
| Mr | 120.162 |
| PSA | 57.56 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 54 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCC[n+]1ccc(cc1)/C=C/c1cc2ccc(cc2oc1=O)N(CC)CC.[Br-] |
