Basic information
- Standard SMILES
CC(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1- InChIKey
WYTAZACBYDGETJ-UHFFFAOYSA-N- Molecular formula
- C26H30Cl2N2O2
- Average molar mass
- 473.4 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3R,4R,5R)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-isobutyl-pyrrolidine-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2-methylpropyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL2151539WYTAZACBYDGETJ-UHFFFAOYSA-Nrac-(2R,3R,4R,5R)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-isobutyl-pyrrolidine-2-carboxylic acid tert-butyl esterrac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-isobutyl-pyrrolidine-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67296830
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 704
Related reactions
3 records
Compound notes
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