Base information
| Cat. No. | |
| CAS No. | 172331-68-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H27N3O6 |
| Molecular Weight | 489.52 |
| Exact Mass | 489.19 |
| XLogP3 | 4.9526 |
| Mr | 139.398 |
| PSA | 114.55 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 66 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1c(C)nc(c(c1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C |
