Base information
| Cat. No. | |
| CAS No. | 1548618-47-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21BrN6O4 |
| Molecular Weight | 501.333 |
| Exact Mass | 500.081 |
| XLogP3 | 3.1681 |
| Mr | 122.88 |
| PSA | 156.2 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 54 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | C#CCC(c1ccc(cc1)C(=O)OC)(C(=O)OC)Cc1cnc2c(n1)c(N)nc(n2)N.Br |
