Base information
| Cat. No. | |
| CAS No. | 158812-85-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N3O5S |
| Molecular Weight | 377.415 |
| Exact Mass | 377.105 |
| XLogP3 | 3.6801 |
| Mr | 97.7527 |
| PSA | 115.12 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2c(c1)[nH]c(n2)S(=O)(=O)Cc1[n+]([O-])cc(c(c1C)OC)C |
