Base information
| Cat. No. | |
| CAS No. | 85721-05-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C24H28ClN2O3S- |
| Molecular Weight | 460.009 |
| Exact Mass | 459.151 |
| XLogP3 | 2.6119 |
| Mr | 132.742 |
| PSA | 100.93 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 62 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OCCN1(CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2)CC(=O)[O-] |
