Base information
| Cat. No. | |
| CAS No. | 1092939-15-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N6O4 |
| Molecular Weight | 422.437 |
| Exact Mass | 422.17 |
| XLogP3 | 3.17818 |
| Mr | 112.067 |
| PSA | 157.78 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C\C(=O)O.N#CC[C@@H](n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1 |
