Base information
| Cat. No. | |
| CAS No. | 1092578-48-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H20N6O |
| Molecular Weight | 312.37 |
| Exact Mass | 312.17 |
| XLogP3 | 1.48268 |
| Mr | 91.1977 |
| PSA | 88.91 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)N1CC[C@H]([C@@H](C1)N(c1ncnc2c1cc[nH]2)C)C |
