Basic information
- Standard SMILES
C[C@H](NCc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)O)c1)[C@H](O)c1ccccc1- InChIKey
RPTQJXZEZPCEIS-FYSMJZIKSA-N- Molecular formula
- C25H24F3NO4
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.16574273
Names & identifiers
- Preferred name
- (3-{2-[((1S,2R)-2-Hydroxy-1-methyl-2-phenyl-ethylamino)-methyl]-4-trifluoromethyl-phenoxy}-phenyl)-acetic acid
- IUPAC
- 2-[3-[2-[[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetic acid
Names & synonyms
(3-{2-[((1S,2R)-2-Hydroxy-1-methyl-2-phenyl-ethylamino)-methyl]-4-trifluoromethyl-phenoxy}-phenyl)-acetic acidSCHEMBL1643168
Database identifiers
- PubChem CID
- 58237447
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 611
Related reactions
3 records
Compound notes
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