Basic information
- Standard SMILES
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2Cc2ccncc2)CC1- InChIKey
FOAMYQNXUWBTGW-AEFFLSMTSA-N- Molecular formula
- C22H21F3N4O3S
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-pyridin-4-ylmethyl-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (2S,4R)-N-(1-cyanocyclopropyl)-1-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
Names & synonyms
(2S,4R)-1-pyridin-4-ylmethyl-4-(2-trifluoromethyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL695092
Database identifiers
- PubChem CID
- 59543646
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 885
Related reactions
1 records
Compound notes
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