Base information
| Cat. No. | |
| CAS No. | 78520-72-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H21N7O6 |
| Molecular Weight | 455.424 |
| Exact Mass | 455.155 |
| XLogP3 | 1.8068 |
| Mr | 115.491 |
| PSA | 216.53 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)OCCc1cnc2c(n1)c(N)nc(n2)N |
