Base information
| Cat. No. | |
| CAS No. | 230971-72-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H44Cl2N12O |
| Molecular Weight | 827.806 |
| Exact Mass | 826.314 |
| XLogP3 | 8.8764 |
| Mr | 231.035 |
| PSA | 153.93 |
| Sequence | - |
| Atom number | 103 |
| Bond number | 110 |
| Ring number | 8 |
| Rotor number | 17 |
| Residues number | 0 |
| Canonical smiles | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)Cn1nnc(n1)c1ccccc1c1ccc(cc1)Cn1c(CCCC)nc(c1CO)Cl)Cl |
