Base information
| Cat. No. | |
| CAS No. | 1095173-27-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N6O |
| Molecular Weight | 374.439 |
| Exact Mass | 374.186 |
| XLogP3 | 3.79338 |
| Mr | 111.531 |
| PSA | 96.84 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C |
