Base information
| Cat. No. | |
| CAS No. | 1126745-58-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H13ClD8N4OS |
| Molecular Weight | 420.985 |
| Exact Mass | 420.163 |
| XLogP3 | 3.9499 |
| Mr | 125.477 |
| PSA | 76.71 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 53 |
| Ring number | 5 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])c1nsc2c1cccc2 |
