1-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-4-phenyl-butan-2-one
Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1CC(=O)CCc1ccccc1- InChIKey
YNTCKEIEQQGGLW-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO2
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.05209
Names & identifiers
- Preferred name
- 1-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-4-phenyl-butan-2-one
- IUPAC
- 1-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]-4-phenylbutan-2-one
Names & synonyms
SCHEMBL1475YNTCKEIEQQGGLW-UHFFFAOYSA-N1-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-4-phenyl-butan-2-one
Database identifiers
- PubChem CID
- 58539628
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
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