Base information
| Cat. No. | |
| CAS No. | 1596-63-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H16N4O6S |
| Molecular Weight | 416.408 |
| Exact Mass | 416.079 |
| XLogP3 | 0.9021 |
| Mr | 105.326 |
| PSA | 175.09 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 48 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1nc2ccccc2nc1C(=O)O |
