Base information
| Cat. No. | |
| CAS No. | 269055-76-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H13BrClN5O |
| Molecular Weight | 454.707 |
| Exact Mass | 452.999 |
| XLogP3 | 5.86156 |
| Mr | 110.164 |
| PSA | 94.62 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)Nc1nc(Cl)c(c(n1)Oc1c(C)cc(cc1C)C#N)Br |
