Base information
| Cat. No. | |
| CAS No. | 52231-20-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H22N4O4S |
| Molecular Weight | 414.478 |
| Exact Mass | 414.136 |
| XLogP3 | 0.8207 |
| Mr | 120.345 |
| PSA | 136.4 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 54 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)Cc1ccc(cc1)C1=NCCCN1 |
