Base information
| Cat. No. | |
| CAS No. | 661487-16-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H20IN3O4 |
| Molecular Weight | 421.231 |
| Exact Mass | 421.05 |
| XLogP3 | 2.7234 |
| Mr | 92.677 |
| PSA | 73.66 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)n1nc(c2c1CCN(C2)C(=O)OC(C)(C)C)I |
