Base information
| Cat. No. | |
| CAS No. | 105979-17-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H31N3O6 |
| Molecular Weight | 505.562 |
| Exact Mass | 505.221 |
| XLogP3 | 5.0003 |
| Mr | 147.744 |
| PSA | 113.69 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 71 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@@H]1CCCN(C1)Cc1ccccc1)C |
