Basic information
- Standard SMILES
Cc1cnc(F)cc1C(=O)CC(c1ccc(Br)cc1)c1ccccc1C- InChIKey
CUNWVGGKVJWPTH-UHFFFAOYSA-N- Molecular formula
- C22H19BrFNO
- Average molar mass
- 412.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Bromo-phenyl)-1-(2-fluoro-5-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one
- IUPAC
- 3-(4-bromophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)-3-(2-methylphenyl)propan-1-one
Names & synonyms
SCHEMBL1389992CUNWVGGKVJWPTH-UHFFFAOYSA-N3-(4-Bromo-phenyl)-1-(2-fluoro-5-methyl-pyridin-4-yl)-3-o-tolyl-propan-1-one
Database identifiers
- PubChem CID
- 67015504
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
1 records
Compound notes
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