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Basic information
- Standard SMILES
COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CS(=O)c1ccccc1- InChIKey
IENSDYYGZRNUQN-UHFFFAOYSA-N- Molecular formula
- C23H19F3O4S
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.09561474
Names & identifiers
- Preferred name
- (2'-Benzenesulfinylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid
- IUPAC
- 2-[3-[2-(benzenesulfinylmethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
Names & synonyms
(2'-Benzenesulfinylmethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acidSCHEMBL2501712
Database identifiers
- PubChem CID
- 45280348
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
2 records
Compound notes
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