HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 157698199
Identifiers & Physical Properties
| Molecular formula | C35H44Cl4N7O4- |
|---|---|
| Average molar mass | 769.6 g/mol |
| SMILES | [2H]N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CN=CN2)C=O.C1CN([C@H](C(=O)N1CCOC2=CC3=CC=CC=C3C=C2)CCCCN)Cl.Cl[Cl-]Cl |
| InChIKey | CUVPPRPDFKXKCD-XIAYLXMGSA-N |
| PubChem CID | 157698199 |
Chemical & Physical Properties
| Topological polar surface area | 160 |
|---|---|
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 15 |
| Heavy atoms | 50 |
| Formal charge | -1 |
| Complexity | 795 |