Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1-c1ccno1- InChIKey
JHKGZKFZFINOJS-DLBZAZTESA-N- Molecular formula
- C24H25ClFN3O3
- Average molar mass
- 457.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-isoxazol-5-yl-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone
- IUPAC
- 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL6076247JHKGZKFZFINOJS-DLBZAZTESA-N2-(4-Chloro-2-isoxazol-5-yl-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone
Database identifiers
- PubChem CID
- 69655376
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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