Basic information
- Standard SMILES
C[C@H](Oc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)O- InChIKey
PTPMTVQCUHVDCM-LBPRGKRZSA-N- Molecular formula
- C21H19F4NO4
- Average molar mass
- 425.4 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[[3'-fluoro-4'-(1-pyrrolidinylcarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]-propanoic acid
- IUPAC
- (2S)-2-[2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethyl)phenoxy]propanoic acid
Names & synonyms
(2S)-2-[[3'-fluoro-4'-(1-pyrrolidinylcarbonyl)-5-(trifluoromethyl)[1,1'-biphenyl]-2-yl]oxy]-propanoic acidSCHEMBL2102105
Database identifiers
- PubChem CID
- 11604262
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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