Base information
| Cat. No. | |
| CAS No. | 280749-17-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C24H27N3O4S |
| Molecular Weight | 453.554 |
| Exact Mass | 453.172 |
| XLogP3 | 4.9723 |
| Mr | 136.057 |
| PSA | 111.74 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 61 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(N1CCN(CC1)C(=O)C)/C=C/c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1C(C)C |
