Base information
| Cat. No. | |
| CAS No. | 127243-85-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20BrN3O2S |
| Molecular Weight | 446.361 |
| Exact Mass | 445.046 |
| XLogP3 | 5.4412 |
| Mr | 112.173 |
| PSA | 79.47 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2 |
