Basic information
- Standard SMILES
CC1CN(C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])C(C)CN1Cc1ccc(F)cc1- InChIKey
KQYBWAWAMAJIEQ-UHFFFAOYSA-N- Molecular formula
- C21H23ClFN3O4
- Average molar mass
- 435.9 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
- IUPAC
- 2-(4-chloro-2-nitrophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL5060729
Database identifiers
- PubChem CID
- 21973379
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
3 records
Compound notes
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