Base information
| Cat. No. | |
| CAS No. | 4193-55-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H45N12NaO10S2 |
| Molecular Weight | 940.979 |
| Exact Mass | 940.272 |
| XLogP3 | 5.8429 |
| Mr | 239.876 |
| PSA | 338.36 |
| Sequence | - |
| Atom number | 110 |
| Bond number | 114 |
| Ring number | 6 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO.[NaH] |
