Base information
| Cat. No. | |
| CAS No. | 149556-49-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H16N2O5S |
| Molecular Weight | 408.427 |
| Exact Mass | 408.078 |
| XLogP3 | 4.1482 |
| Mr | 107.721 |
| PSA | 124.97 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1cccnc1NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(c(c1)C(=O)O)O |
