Basic information
- Standard SMILES
COC(=O)CCc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1C- InChIKey
GQQCBPRRJVTVNS-UHFFFAOYSA-N- Molecular formula
- C23H21F3O3S
- Average molar mass
- 434.5 g/mol
- Monoisotopic mass
- 434.11635019
Names & identifiers
- Preferred name
- 3-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid methyl ester
- IUPAC
- methyl 3-[2-methyl-4-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methoxy]phenyl]propanoate
Names & synonyms
3-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid methyl esterSCHEMBL3954311
Database identifiers
- PubChem CID
- 68853010
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Related reactions
9 records
Compound notes
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