Base information
| Cat. No. | |
| CAS No. | 74682-62-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H14N2Na2O6S2 |
| Molecular Weight | 428.391 |
| Exact Mass | 428.009 |
| XLogP3 | -1.7926 |
| Mr | 90.4277 |
| PSA | 183.21 |
| Sequence | - |
| Atom number | 41 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H](c1cscc1)C(=O)[O-])N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+] |
