Base information
| Cat. No. | |
| CAS No. | 5789-72-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H21N3O4 |
| Molecular Weight | 331.366 |
| Exact Mass | 331.153 |
| XLogP3 | 2.9001 |
| Mr | 90.5666 |
| PSA | 95.7 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(nc1N)C |
