Basic information
- Standard SMILES
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)CN2c2nnc(C(F)(F)F)s2)CC1- InChIKey
WZAOKIKCWYVWJM-PWSUYJOCSA-N- Molecular formula
- C19H15F6N5O3S2
- Average molar mass
- 539.5 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-(2-Trifluoromethyl-benzenesulfonyl)-1-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-pyrrolidine-2-carboxylic Acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (2S,4R)-N-(1-cyanocyclopropyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
(2S,4R)-4-(2-Trifluoromethyl-benzenesulfonyl)-1-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-pyrrolidine-2-carboxylic Acid (1-cyano-cyclopropyl)-amideSCHEMBL695345
Database identifiers
- PubChem CID
- 59543797
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 988
Related reactions
1 records
Compound notes
Loading…