Base information
| Cat. No. | |
| CAS No. | 42399-41-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H26N2O4S |
| Molecular Weight | 414.518 |
| Exact Mass | 414.161 |
| XLogP3 | 3.4335 |
| Mr | 117.393 |
| PSA | 84.38 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(=O)[C@@H]1OC(=O)C)CCN(C)C |
