Base information
| Cat. No. | |
| CAS No. | 54553-91-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H26N4O8 |
| Molecular Weight | 546.528 |
| Exact Mass | 546.175 |
| XLogP3 | 2.081 |
| Mr | 159.551 |
| PSA | 197.98 |
| Sequence | - |
| Atom number | 66 |
| Bond number | 68 |
| Ring number | 5 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)C1=NCCN1.c1ccc(cc1)C1=NCCN1.OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O |
