Base information
| Cat. No. | |
| CAS No. | 1256584-75-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H27IN2O2 |
| Molecular Weight | 514.399 |
| Exact Mass | 514.112 |
| XLogP3 | 6.48778 |
| Mr | 130.192 |
| PSA | 65.88 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 59 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCc1ccc(cc1I)C(c1[nH]c2c(c1C(=O)OC(C)(C)C)ccc(c2)C#N)(C)C |
