Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CSc2ccccc2)c1- InChIKey
FLLNKFUVXADNEN-UHFFFAOYSA-N- Molecular formula
- C25H23F3O3S
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- (6-Methoxy-2'-phenylsulfanylmethyl-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[4-methoxy-3-[2-(phenylsulfanylmethyl)-4-(trifluoromethyl)phenyl]phenyl]acetate
Names & synonyms
(6-Methoxy-2'-phenylsulfanylmethyl-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl esterSCHEMBL2505141
Database identifiers
- PubChem CID
- 67432230
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Related reactions
4 records
Compound notes
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