Base information
| Cat. No. | |
| CAS No. | 58051-98-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H18N6O4S |
| Molecular Weight | 438.46 |
| Exact Mass | 438.111 |
| XLogP3 | 5.42628 |
| Mr | 118.336 |
| PSA | 165 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 51 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | N#CCCN(c1ccc(cc1)/N=N/c1sc2c(n1)ccc(c2)[N+](=O)[O-])CCOC(=O)C |
