Base information
| Cat. No. | |
| CAS No. | 12677-16-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H23ClN6Na2O9S2 |
| Molecular Weight | 733.08 |
| Exact Mass | 732.045 |
| XLogP3 | 6.3907 |
| Mr | 163.848 |
| PSA | 263.28 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 73 |
| Ring number | 5 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCOc1nc(nc(n1)Cl)Nc1c(C)c(Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)[O-])c(c(c1C)S(=O)(=O)[O-])C.[Na+].[Na+] |
