Base information
| Cat. No. | |
| CAS No. | 1246812-29-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H22IN5O4 |
| Molecular Weight | 583.378 |
| Exact Mass | 583.072 |
| XLogP3 | 4.4855 |
| Mr | 137.228 |
| PSA | 122.22 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 61 |
| Ring number | 5 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Nc1nc(I)c2c(n1)ncn2C1CC(C1COC(=O)c1ccccc1)COC(=O)c1ccccc1 |
