Basic information
- Standard SMILES
O=C(O)CCc1cccc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1- InChIKey
QPSHJNGOWITLDS-UHFFFAOYSA-N- Molecular formula
- C33H26F3NO3
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- 3-[3-({3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Benzyl}Oxy)Phenyl]Propanoic Acid
- IUPAC
- 3-[3-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]phenyl]propanoic acid
Names & synonyms
3-[3-({3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Benzyl}Oxy)Phenyl]Propanoic AcidSCHEMBL1124816
Database identifiers
- PubChem CID
- 66913616
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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