Base information
| Cat. No. | |
| CAS No. | 137863-89-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.401 |
| Exact Mass | 322.168 |
| XLogP3 | 3.90338 |
| Mr | 94.4877 |
| PSA | 62.12 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@H](C(C)C)NCc1ccc(cc1)c1ccccc1C#N |
