Basic information
- Standard SMILES
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1- InChIKey
IEGJMKDKPPIMSZ-BZUAXINKSA-N- Molecular formula
- C23H23ClF5N3O5S
- Average molar mass
- 584 g/mol
Names & identifiers
- Preferred name
- (1R,2R,4R)-4-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-benzenesulfonyl]-2-(3,3-difluoro-pyrrolidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1R,2R,4R)-4-[2-chloro-4-(2,2,2-trifluoroethoxy)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(3,3-difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxamide
Names & synonyms
(1R,2R,4R)-4-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-benzenesulfonyl]-2-(3,3-difluoro-pyrrolidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139243
Database identifiers
- PubChem CID
- 59619340
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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