Base information
| Cat. No. | |
| CAS No. | 14516-56-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H33N3O8S |
| Molecular Weight | 571.642 |
| Exact Mass | 571.199 |
| XLogP3 | 3.2912 |
| Mr | 161.925 |
| PSA | 184.22 |
| Sequence | - |
| Atom number | 73 |
| Bond number | 74 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2.OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O |
