Base information
| Cat. No. | |
| CAS No. | 852246-54-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26N2O3S2 |
| Molecular Weight | 418.573 |
| Exact Mass | 418.138 |
| XLogP3 | 6.63388 |
| Mr | 117.669 |
| PSA | 113.2 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 55 |
| Ring number | 2 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CCCCCCCCS(=O)(=O)O/N=C/1\SC=CC1=C(c1ccccc1C)C#N |
