Base information
| Cat. No. | |
| CAS No. | 13104-56-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17N3O |
| Molecular Weight | 339.39 |
| Exact Mass | 339.137 |
| XLogP3 | 4.8812 |
| Mr | 102.627 |
| PSA | 47.9 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 46 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1 |
