Base information
| Cat. No. | |
| CAS No. | 183320-51-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22ClN3O4 |
| Molecular Weight | 415.87 |
| Exact Mass | 415.13 |
| XLogP3 | 3.626 |
| Mr | 113.634 |
| PSA | 85.73 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 52 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C.Cl |
