Base information
| Cat. No. | |
| CAS No. | 80576-83-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25N7O5 |
| Molecular Weight | 467.478 |
| Exact Mass | 467.192 |
| XLogP3 | 2.9216 |
| Mr | 123.579 |
| PSA | 207.3 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 61 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N |
