Base information
| Cat. No. | |
| CAS No. | 56796-20-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17N7O5S3 |
| Molecular Weight | 471.534 |
| Exact Mass | 471.045 |
| XLogP3 | -0.39952 |
| Mr | 111.62 |
| PSA | 239.23 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | N#CCSCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C |
