Base information
| Cat. No. | |
| CAS No. | 12656-40-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N5O6S2 |
| Molecular Weight | 439.466 |
| Exact Mass | 439.062 |
| XLogP3 | -0.7807 |
| Mr | 111.919 |
| PSA | 207.32 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COC1=CC(=O)N(C1)C(=O)[C@H]1CSC(=N1)C(NC(=O)c1csc(n1)/C=N/O)CO |
