Basic information
- Standard SMILES
CC(NC(=O)Cc1ccc(C(C)C(=O)O)cc1)c1ccc(OCC(F)(F)F)cn1- InChIKey
LNMQLBKKRHPUGI-UHFFFAOYSA-N- Molecular formula
- C20H21F3N2O4
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-[2-Oxo-2-[1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethylamino]ethyl]phenyl]propanoic acid
- IUPAC
- 2-[4-[2-oxo-2-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethylamino]ethyl]phenyl]propanoic acid
Names & synonyms
SCHEMBL8231358LNMQLBKKRHPUGI-UHFFFAOYSA-N2-[4-[2-Oxo-2-[1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethylamino]ethyl]phenyl]propanoic acid
Database identifiers
- PubChem CID
- 70311775
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 550
Related reactions
1 records
Compound notes
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