Basic information
- Standard SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ncc(Cl)cc1[N+](=O)[O-]- InChIKey
SHNYVYWKNUPUBA-UONOGXRCSA-N- Molecular formula
- C20H22ClFN4O4
- Average molar mass
- 436.9 g/mol
Names & identifiers
- Preferred name
- 2-(5-Chloro-3-Nitro-Pyridin-2-Yloxy)-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2,5-Dimethyl-Piperazin-1-Yl]Ethanone
- IUPAC
- 2-[(5-chloro-3-nitro-2-pyridinyl)oxy]-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
Names & synonyms
SCHEMBL6077068SHNYVYWKNUPUBA-UONOGXRCSA-N2-(5-Chloro-3-nitro-pyridin-2-yloxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone2-(5-Chloro-3-Nitro-Pyridin-2-Yloxy)-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2,5-Dimethyl-Piperazin-1-Yl]Ethanone
Database identifiers
- PubChem CID
- 69655657
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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