Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1F- InChIKey
AAZDOECSDJSVDJ-UHFFFAOYSA-N- Molecular formula
- C27H31Cl2FN2O2
- Average molar mass
- 505.4 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3R,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(3-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL2152721AAZDOECSDJSVDJ-UHFFFAOYSA-Nrac-(2R,3R,4R,5S)-4-(4-chloro-2-fluoro-phenyl)-3-(3-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67297239
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
Loading…