Base information
| Cat. No. | |
| CAS No. | 853029-57-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H17BrN6O2 |
| Molecular Weight | 453.292 |
| Exact Mass | 452.06 |
| XLogP3 | 1.9824 |
| Mr | 114.871 |
| PSA | 87.6 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 49 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C |
