Base information
| Cat. No. | |
| CAS No. | 4330-99-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H28N2O6S |
| Molecular Weight | 448.533 |
| Exact Mass | 448.167 |
| XLogP3 | 2.4294 |
| Mr | 122.085 |
| PSA | 146.84 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 60 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O[C@H]([C@H](C(=O)O)O)C(=O)O.CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C |
