Base information
| Cat. No. | |
| CAS No. | 33481-16-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C53H64CuN14O12S3 |
| Molecular Weight | 1248.9 |
| Exact Mass | 1247.33 |
| XLogP3 | 3.8397 |
| Mr | 329.85 |
| PSA | 369.29 |
| Sequence | - |
| Atom number | 147 |
| Bond number | 153 |
| Ring number | 10 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | CN(CCCNS(=O)(=O)c1cccc2c1C1=N/C/2=N\c2n3[Cu]n4/c(=N\1)/c1cccc(c1/c/4=N/C1=N/C(=N\c3c3c2c(ccc3)S(=O)(=O)NCCCN(C)C)/c2c1cccc2)S(=O)(=O)NCCCN(C)C)C.CC(=O)O.CC(=O)O.CC(=O)O |
