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Basic information
- Standard SMILES
COc1cc(-n2ccc(-c3ccc(C(F)(F)F)cc3)cc2=O)ccc1OCC1CO1- InChIKey
LJQDYDKCIDOOPL-UHFFFAOYSA-N- Molecular formula
- C22H18F3NO4
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 1-[3-Methoxy-4-(oxiran-2-ylmethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
- IUPAC
- 1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
Names & synonyms
SCHEMBL1724476
Database identifiers
- PubChem CID
- 87282923
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
Related reactions
2 records
Compound notes
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