Base information
| Cat. No. | |
| CAS No. | 199986-75-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H28N6O3 |
| Molecular Weight | 400.475 |
| Exact Mass | 400.222 |
| XLogP3 | 1.8919 |
| Mr | 112.628 |
| PSA | 108.56 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 59 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(NCc2ccc(cc2)OC)c2c(n1)n(cn2)C(C)C)CCO |
