Base information
| Cat. No. | |
| CAS No. | 1092939-16-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H20N6O4S |
| Molecular Weight | 404.444 |
| Exact Mass | 404.127 |
| XLogP3 | 3.89438 |
| Mr | 101.877 |
| PSA | 166.16 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.N#CC[C@@H](n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1 |
