Base information
| Cat. No. | |
| CAS No. | 84957-29-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H22N6O5S2 |
| Molecular Weight | 514.577 |
| Exact Mass | 514.109 |
| XLogP3 | -0.1339 |
| Mr | 132.793 |
| PSA | 207.46 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 61 |
| Ring number | 5 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCC2)/c1csc(n1)N |
