Basic information
- Standard SMILES
Cc1cc(N2C[C@H](S(=O)(=O)c3ccc(F)cc3C(F)(F)F)C[C@H]2C(=O)O)n(-c2ccc(C(F)(F)F)cc2)n1- InChIKey
XCGKYCOEUSSOFK-AEFFLSMTSA-N- Molecular formula
- C23H18F7N3O4S
- Average molar mass
- 565.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-Fluoro-2-trifluoromethyl-benzenesulfonyl)-1-[5-methyl-2-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-pyrrolidine-2-carboxylic Acid
- IUPAC
- (2S,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL696805XCGKYCOEUSSOFK-AEFFLSMTSA-N(2S,4R)-4-(4-Fluoro-2-trifluoromethyl-benzenesulfonyl)-1-[5-methyl-2-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-pyrrolidine-2-carboxylic Acid
Database identifiers
- PubChem CID
- 86646833
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 966
Related reactions
1 records
Compound notes
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