Base information
| Cat. No. | |
| CAS No. | 34444-01-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H18N6O5S2 |
| Molecular Weight | 462.503 |
| Exact Mass | 462.078 |
| XLogP3 | 0.1032 |
| Mr | 114.385 |
| PSA | 201.14 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 52 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)c1ccccc1 |
