Base information
| Cat. No. | |
| CAS No. | 796844-24-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H13F9N4O3S |
| Molecular Weight | 596.425 |
| Exact Mass | 596.056 |
| XLogP3 | 6.80078 |
| Mr | 120.867 |
| PSA | 125.37 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 55 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C(=O)Nc1nnc(s1)C(F)(F)F |
