Base information
| Cat. No. | |
| CAS No. | 65085-01-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N9O5S3 |
| Molecular Weight | 511.558 |
| Exact Mass | 511.051 |
| XLogP3 | 0.0402 |
| Mr | 122.877 |
| PSA | 269.65 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)/c1csc(n1)N |
