Basic information
- Standard SMILES
C=CCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1- InChIKey
NYJPQTAAFYRJOR-UHFFFAOYSA-N- Molecular formula
- C21H20F3N3O4
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.14059061
Names & identifiers
- Preferred name
- (2-Allyloxy-5-nitro-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone
- IUPAC
- (5-nitro-2-prop-2-enoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Names & synonyms
(2-Allyloxy-5-nitro-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanoneSCHEMBL4419783
Database identifiers
- PubChem CID
- 69036586
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
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