Basic information
- Standard SMILES
CCCc1cc(Sc2ccc(OCc3ccc(C(F)(F)F)cc3)c(C)c2)ccc1OCC(=O)OCC- InChIKey
WTSKUIFKZLYEET-UHFFFAOYSA-N- Molecular formula
- C28H29F3O4S
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- 4-[[3-Methyl-4-(4-trifluoromethylbenzyloxy)phenyl]sulfanyl]-2-propylphenoxy-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanyl-2-propylphenoxy]acetate
Names & synonyms
4-[[3-Methyl-4-(4-trifluoromethylbenzyloxy)phenyl]sulfanyl]-2-propylphenoxy-acetic acid ethyl esterSCHEMBL2873916
Database identifiers
- PubChem CID
- 59129124
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 653
Related reactions
6 records
Compound notes
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