Base information
| Cat. No. | |
| CAS No. | 53316-59-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H18N4O |
| Molecular Weight | 342.394 |
| Exact Mass | 342.148 |
| XLogP3 | 4.40758 |
| Mr | 98.9234 |
| PSA | 76.86 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 47 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CC1=C(N)Oc2c(C1c1ccc(cc1)C)c(C)nn2c1ccccc1 |
