Base information
| Cat. No. | |
| CAS No. | 111974-72-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C46H54N6O8S2 |
| Molecular Weight | 883.086 |
| Exact Mass | 882.344 |
| XLogP3 | 4.0466 |
| Mr | 264.007 |
| PSA | 221.8 |
| Sequence | - |
| Atom number | 116 |
| Bond number | 121 |
| Ring number | 8 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C/C(=O)O.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 |
