Base information
| Cat. No. | |
| CAS No. | 808-26-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N2O7 |
| Molecular Weight | 414.409 |
| Exact Mass | 414.143 |
| XLogP3 | 0.8209 |
| Mr | 104.366 |
| PSA | 161.39 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3cccc(c3C(=O)C1=C2O)O)O)O)C |
