Basic information
- Standard SMILES
CCCCCCC(Oc1ccc(C(=O)OCC)cc1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1- InChIKey
GNCMFDSKYYFDDP-UHFFFAOYSA-N- Molecular formula
- C28H30F3NO3
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.21777831
Names & identifiers
- Preferred name
- Ethyl 4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoate
- IUPAC
- ethyl 4-[1-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]heptoxy]benzoate
Names & synonyms
SCHEMBL2269607GNCMFDSKYYFDDP-UHFFFAOYSA-Nethyl 4-{1-[6-(4-trifluoromethyl-phenyl)-pyridin-3-yl]-heptyloxy}-benzoate
Database identifiers
- PubChem CID
- 67341864
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 613
Related reactions
3 records
Compound notes
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