Basic information
- Standard SMILES
CCOC(=O)C1CC1c1ccc(NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1- InChIKey
FHVKKPAUUXVLRX-UHFFFAOYSA-N- Molecular formula
- C26H24F3NO3
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.17082811
Names & identifiers
- Preferred name
- Ethyl 2-(4-{[(3-{[3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]amino}phenyl)cyclopropanecarboxylate
- IUPAC
- ethyl 2-[4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methylamino]phenyl]cyclopropane-1-carboxylate
Names & synonyms
ethyl 2-(4-{[(3-{[3-(trifluoromethyl)phenyl]oxy}phenyl)methyl]amino}phenyl)cyclopropanecarboxylateSCHEMBL3739963
Database identifiers
- PubChem CID
- 68768178
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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