(4-(3-Fluoro-4-(trifluoromethyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
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Basic information
- Standard SMILES
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(C(F)(F)F)c(F)c2)CC1- InChIKey
FJPFCHXUQDXGEX-UHFFFAOYSA-N- Molecular formula
- C22H22F4N4O4
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 482.15771784
Names & identifiers
- Preferred name
- (4-(3-Fluoro-4-(trifluoromethyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
- IUPAC
- [4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
Names & synonyms
CHEMBL498182(4-(3-fluoro-4-(trifluoromethyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanoneSCHEMBL3921665BDBM50264980[4-(3-Fluoro-4-trifluoromethyl-phenyl)-piperazin-1-yl]-(2-morpholin-4-yl-5-nitro-phenyl)-methanone
Database identifiers
- PubChem CID
- 44580341
- ChEMBL
CHEMBL498182
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
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Related reactions
2 records
Compound notes
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