Base information
| Cat. No. | |
| CAS No. | 100678-32-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H24N2O4 |
| Molecular Weight | 380.437 |
| Exact Mass | 380.174 |
| XLogP3 | 2.6945 |
| Mr | 114.198 |
| PSA | 98.99 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 54 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)C1(CC1C1=NCCN1)c1ccccc1.OC(=O)CCC(=O)O |
