Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)NCC[C@H](O)CO)C(c2ccc(F)c(Cl)c2)C1(C#N)c1ccc(Cl)cc1F- InChIKey
ZDQQHSLVUPTNHS-GLUOMHQESA-N- Molecular formula
- C27H31Cl2F2N3O3
- Average molar mass
- 554.5 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3R,4R,5S)-3-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide
- IUPAC
- 3-(3-chloro-4-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Names & synonyms
ZDQQHSLVUPTNHS-GLUOMHQESA-Nrac-(2R,3R,4R,5S)-3-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide
Database identifiers
- PubChem CID
- 86640343
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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