4-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxysulfonyl]-2-hydroxy-benzoic acid
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Basic information
- Standard SMILES
O=C(NCCCCCCCCc1ccccc1)c1cc(Br)c(OS(=O)(=O)c2ccc(C(=O)O)c(O)c2)c(-c2cccc(C(F)(F)F)c2)c1- InChIKey
JGPAXWFYDLNZHJ-UHFFFAOYSA-N- Molecular formula
- C35H33BrF3NO7S
- Average molar mass
- 748.6 g/mol
- Monoisotopic mass
- 747.11132
Names & identifiers
- Preferred name
- 4-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxysulfonyl]-2-hydroxy-benzoic acid
- IUPAC
- 4-[2-bromo-4-(8-phenyloctylcarbamoyl)-6-[3-(trifluoromethyl)phenyl]phenoxy]sulfonyl-2-hydroxybenzoic acid
Names & synonyms
4-[3-Bromo-5-(8-phenyl-octylcarbamoyl)-3'-trifluoromethyl-biphenyl-2-yloxysulfonyl]-2-hydroxy-benzoic acidSCHEMBL5989267
Database identifiers
- PubChem CID
- 9896871
Properties
Computed structural propertiesFilling in
- XLogP
- 10.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,130
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Related reactions
5 records
Compound notes
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