Base information
| Cat. No. | |
| CAS No. | 12225-61-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H21Br2N3Na2O9S2 |
| Molecular Weight | 789.377 |
| Exact Mass | 786.888 |
| XLogP3 | 6.5069 |
| Mr | 159.47 |
| PSA | 232.45 |
| Sequence | - |
| Atom number | 65 |
| Bond number | 66 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | BrCC(C(=O)Nc1c(C)c(Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)[O-])c(c(c1C)S(=O)(=O)[O-])C)Br.[Na+].[Na+] |
