Base information
| Cat. No. | |
| CAS No. | 400024-12-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H31ClN2O9 |
| Molecular Weight | 538.975 |
| Exact Mass | 538.172 |
| XLogP3 | 3.3973 |
| Mr | 138.145 |
| PSA | 174.48 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 68 |
| Ring number | 2 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C\C(=O)O.NCCOCC1=C(C(=O)OCC)C(C(=C(N1)C)C(=O)OCC)c1ccccc1Cl |
