Base information
| Cat. No. | |
| CAS No. | 144675-97-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H23N5O6 |
| Molecular Weight | 441.437 |
| Exact Mass | 441.165 |
| XLogP3 | 1.8566 |
| Mr | 115.596 |
| PSA | 197.73 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C\C(=O)O.NCCNc1ccc(c2c1C(=O)c1cnccc1C2=O)NCCN |
