Base information
| Cat. No. | |
| CAS No. | 1454662-54-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H33N5O9S |
| Molecular Weight | 651.687 |
| Exact Mass | 651.2 |
| XLogP3 | 4.24556 |
| Mr | 165.873 |
| PSA | 218.81 |
| Sequence | - |
| Atom number | 79 |
| Bond number | 83 |
| Ring number | 5 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=NCCOCCOCCOCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O |
