HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86640468Generated: November 3, 2026
rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-((R)-3-dimethylamino-2-hydroxy-propoxy)-2-methyl-propyl]-1H-pyrazol-3-yl)-amide
https://huagongshe.com/en/chemical/86640468
Identifiers & Physical Properties
| Molecular formula | C35H44Cl2F2N6O3 |
|---|
| Average molar mass | 705.7 g/mol |
|---|
| Monoisotopic mass | 704.282001 g/mol |
|---|
| SMILES | CN(C)C[C@@H](O)COC(C)(C)Cn1ccc(NC(=O)C2NC(CC(C)(C)C)C(C#N)(c3ccc(Cl)cc3F)C2c2cccc(Cl)c2F)n1 |
|---|
| InChIKey | VHPCPAOYJVKBGL-MXJRGQGSSA-N |
|---|
| PubChem CID | 86640468 |
|---|
Chemical & Physical Properties
| XLogP | 5.5 |
|---|
| Topological polar surface area | 115 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 9 |
|---|
| Rotatable bonds | 13 |
|---|
| Heavy atoms | 48 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,140 |
|---|
![rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid {1-[2-((R)-3-dimethylamino-2-hydroxy-propoxy)-2-methyl-propyl]-1H-pyrazol-3-yl)-amide molecular structure](/img/chemical/86640468.png)