Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1O- InChIKey
HDXTUZYOUOSIKY-CQSZACIVSA-N- Molecular formula
- C20H22ClFN2O3
- Average molar mass
- 392.8 g/mol
- Monoisotopic mass
- 392.1302984
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-hydroxy-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R)-2-methyl-piperazin-1-yl]-ethanone
- IUPAC
- 2-(4-chloro-2-hydroxyphenoxy)-1-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL6077654HDXTUZYOUOSIKY-CQSZACIVSA-N2-(4-Chloro-2-hydroxy-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R)-2-methyl-piperazin-1-yl]-ethanone
Database identifiers
- PubChem CID
- 69655856
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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