Basic information
- Standard SMILES
C[C@H](Oc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)[C@H](C(=O)N3CC(F)(F)C3)C2)c(Cl)c1)C(F)(F)F- InChIKey
KNYAHLBVWZZRDP-LCGIIJARSA-N- Molecular formula
- C23H23ClF5N3O5S
- Average molar mass
- 584 g/mol
Names & identifiers
- Preferred name
- (1R,2R,4R)-4-[2-Chloro-4-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1R,2R,4R)-4-[2-chloro-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(3,3-difluoroazetidine-1-carbonyl)cyclopentane-1-carboxamide
Names & synonyms
(1R,2R,4R)-4-[2-Chloro-4-((S)-2,2,2-trifluoro-1-methyl-ethoxy)-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139110
Database identifiers
- PubChem CID
- 59619227
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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