Base information
| Cat. No. | |
| CAS No. | 1397922-61-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H39ClN6O11 |
| Molecular Weight | 815.224 |
| Exact Mass | 814.237 |
| XLogP3 | 5.97258 |
| Mr | 217.286 |
| PSA | 261.6 |
| Sequence | - |
| Atom number | 97 |
| Bond number | 99 |
| Ring number | 5 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O.CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/[C@H]1CCCN1C)Nc1ccc(c(c1)Cl)OCc1ccccn1)C#N |
