Base information
| Cat. No. | |
| CAS No. | 1261590-48-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17ClN6O |
| Molecular Weight | 416.863 |
| Exact Mass | 416.115 |
| XLogP3 | 4.5565 |
| Mr | 118.396 |
| PSA | 88.49 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 51 |
| Ring number | 5 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Clc1cccc2c1c(=O)n(c(c2)[C@H](Nc1ncnc2c1nc[nH]2)C)c1ccccc1 |
