Base information
| Cat. No. | |
| CAS No. | 79811-16-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H32N4O7S |
| Molecular Weight | 556.631 |
| Exact Mass | 556.199 |
| XLogP3 | 4.159 |
| Mr | 160.948 |
| PSA | 153.11 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 73 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CCCCN1C(=O)C(=C/C=C/C=C/C2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)C(=O)N(C1=O)CCCC |
