Basic information
- Standard SMILES
CC(C)O[C@H]1C[C@@H](S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1- InChIKey
FTLWYLNTORFPOO-DZKIICNBSA-N- Molecular formula
- C20H22BrF3N2O4S
- Average molar mass
- 523.4 g/mol
Names & identifiers
- Preferred name
- (1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
- IUPAC
- (1S,2S,4S)-4-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-propan-2-yloxycyclopentane-1-carboxamide
Names & synonyms
(1S,2S,4S)-4-(4-bromo-2-trifluoromethyl-benzenesulfonyl)-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139171
Database identifiers
- PubChem CID
- 59619427
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 845
Related reactions
2 records
Compound notes
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