Base information
| Cat. No. | |
| CAS No. | 1159977-48-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H44Cl2N12O2 |
| Molecular Weight | 843.805 |
| Exact Mass | 842.309 |
| XLogP3 | 8.6294 |
| Mr | 232.103 |
| PSA | 185.02 |
| Sequence | - |
| Atom number | 104 |
| Bond number | 111 |
| Ring number | 8 |
| Rotor number | 17 |
| Residues number | 0 |
| Canonical smiles | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)C(C(c1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)CO)Cl)CCC)O)Cl |
