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Basic information
- Standard SMILES
COc1ccc(Cl)cc1C1C(C(=O)O)NC(CC(C)(C)C)C1(C#N)c1ccc(Cl)cc1F.O=C(O)C(F)(F)F- InChIKey
XURIRZKWTFULOQ-UHFFFAOYSA-N- Molecular formula
- C26H26Cl2F4N2O5
- Average molar mass
- 593.4 g/mol
- Monoisotopic mass
- 592.11549
Names & identifiers
- Preferred name
- rac-(2R,3S,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(5-chloro-2-methoxy-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acid
- IUPAC
- 4-(4-chloro-2-fluorophenyl)-3-(5-chloro-2-methoxyphenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
rac-(2R,3S,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(5-chloro-2-methoxy-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid trifluoroacetic acidSCHEMBL2151532
Database identifiers
- PubChem CID
- 86640366
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 822
Related reactions
2 records
Compound notes
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