Base information
| Cat. No. | |
| CAS No. | 1001913-13-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H30NNaO4S |
| Molecular Weight | 463.565 |
| Exact Mass | 463.179 |
| XLogP3 | 4.2414 |
| Mr | 123.797 |
| PSA | 108.91 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 64 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC1CCC(CC1)N(c1cc(sc1C(=O)[O-])c1ccccc1)C(=O)C1CCC(CC1)C.[Na+] |
