Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CSC(C)(C)C)c1- InChIKey
RAIYBWJAOKFZEK-UHFFFAOYSA-N- Molecular formula
- C23H27F3O3S
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- (2'-tert-Butylsulfanylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[3-[2-(tert-butylsulfanylmethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
Names & synonyms
(2'-tert-Butylsulfanylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl esterSCHEMBL2501971
Database identifiers
- PubChem CID
- 67430962
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Related reactions
2 records
Compound notes
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