Base information
| Cat. No. | |
| CAS No. | 852808-04-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H45ClN6O5S2 |
| Molecular Weight | 813.427 |
| Exact Mass | 812.258 |
| XLogP3 | 9.9514 |
| Mr | 234.74 |
| PSA | 164.49 |
| Sequence | - |
| Atom number | 101 |
| Bond number | 106 |
| Ring number | 6 |
| Rotor number | 17 |
| Residues number | 0 |
| Canonical smiles | CN(CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)Cl)CSc1ccccc1)C |
