Base information
| Cat. No. | |
| CAS No. | 489451-29-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H18BrNO3 |
| Molecular Weight | 400.266 |
| Exact Mass | 399.047 |
| XLogP3 | 5.3973 |
| Mr | 102.751 |
| PSA | 59.42 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC(COc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)O)Br)C |
