Base information
| Cat. No. | |
| CAS No. | 853910-61-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H21N5O |
| Molecular Weight | 443.499 |
| Exact Mass | 443.175 |
| XLogP3 | 4.47338 |
| Mr | 133.334 |
| PSA | 76.5 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 59 |
| Ring number | 5 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(C#Cc3cccnc3)ccc1nc2)C)(C)C |
