Basic information
- Standard SMILES
Cc1cc(SCC=C(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O- InChIKey
VGDJQEXBZXCBOP-UHFFFAOYSA-N- Molecular formula
- C38H28F6O3S
- Average molar mass
- 678.7 g/mol
Names & identifiers
- Preferred name
- {4-[3,3-Bis-(3'-trifluoromethyl-biphenyl-4-yl)-allylsulfanyl]-2-methyl-phenoxy}-acetic Acid
- IUPAC
- 2-[4-[3,3-bis[4-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid
Names & synonyms
{4-[3,3-Bis-(3'-trifluoromethyl-biphenyl-4-yl)-allylsulfanyl]-2-methyl-phenoxy}-acetic AcidSCHEMBL5959361
Database identifiers
- PubChem CID
- 21986783
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 990
Related reactions
1 records
Compound notes
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