Base information
| Cat. No. | |
| CAS No. | 115-63-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H36N2O5S |
| Molecular Weight | 428.586 |
| Exact Mass | 428.234 |
| XLogP3 | 2.917 |
| Mr | 122.085 |
| PSA | 98.28 |
| Sequence | - |
| Atom number | 65 |
| Bond number | 66 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O.COS(=O)(=O)[O-] |
