HuagongsheHuagongshe Chemistry Print Report · For research reference only
Zenvia

Identifiers & Physical Properties
| CAS No. | 634202-74-7 |
|---|---|
| Molecular formula | C38H49N3O3 |
| Average molar mass | 595.8 g/mol |
| Monoisotopic mass | 595.37739243 g/mol |
| SMILES | C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3 |
| InChIKey | UZBODILCSLUHQR-JLMRSGIVSA-N |
| PubChem CID | 9916632 |
| DTXSID | DTXSID90979599 |
Chemical & Physical Properties
| Topological polar surface area | 58.1 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 5 |
| Heavy atoms | 44 |
| Formal charge | 0 |
| Complexity | 827 |