Base information
| Cat. No. | |
| CAS No. | 111874-11-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20N6O7S4 |
| Molecular Weight | 584.669 |
| Exact Mass | 584.028 |
| XLogP3 | 1.9087 |
| Mr | 142.423 |
| PSA | 304.48 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 60 |
| Ring number | 4 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(c(s1)C)CC(=O)O |
