Base information
| Cat. No. | |
| CAS No. | 1001415-66-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H25BrN4O5S |
| Molecular Weight | 597.48 |
| Exact Mass | 596.073 |
| XLogP3 | 5.6332 |
| Mr | 150.155 |
| PSA | 132.12 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 66 |
| Ring number | 5 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)c1ccccc1.COC(=O)CC[C@@H]1N=C(c2ccccn2)c2c(-n3c1ncc3C)ccc(c2)Br |
