Base information
| Cat. No. | |
| CAS No. | 40896-58-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16BrClN4O7 |
| Molecular Weight | 491.678 |
| Exact Mass | 489.989 |
| XLogP3 | 1.5661 |
| Mr | 100.191 |
| PSA | 131.73 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(Br)nc2Cl)COC(=O)C |
