Base information
| Cat. No. | |
| CAS No. | 1076199-40-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H25N3O3S |
| Molecular Weight | 399.507 |
| Exact Mass | 399.162 |
| XLogP3 | 2.2009 |
| Mr | 123.165 |
| PSA | 99.79 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 56 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OCCOCC[N+]1([O-])CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 |
