Base information
| Cat. No. | |
| CAS No. | 1036271-54-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H31BrCl2N4O |
| Molecular Weight | 590.382 |
| Exact Mass | 588.106 |
| XLogP3 | 3.8267 |
| Mr | 157.972 |
| PSA | 63.93 |
| Sequence | - |
| Atom number | 67 |
| Bond number | 69 |
| Ring number | 4 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | NCCNC(=O)CCCCC[n+]1c(C=Cc2cccc3c2cccc3)n(c2c1cc(Cl)c(c2)Cl)C.[Br-] |
