racemic 3-{4-[1-(4'-tert-Butyl-biphenyl-4-yloxymethyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid
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Basic information
- Standard SMILES
CC(C)(C)c1ccc(-c2ccc(OCC(CCCC(F)(F)F)c3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1- InChIKey
GVEBVTUKZGMHTP-UHFFFAOYSA-N- Molecular formula
- C32H36F3NO4
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.25964312
Names & identifiers
- Preferred name
- racemic 3-{4-[1-(4'-tert-Butyl-biphenyl-4-yloxymethyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid
- IUPAC
- 3-[[4-[1-[4-(4-tert-butylphenyl)phenoxy]-6,6,6-trifluorohexan-2-yl]benzoyl]amino]propanoic acid
Names & synonyms
racemic 3-{4-[1-(4'-tert-Butyl-biphenyl-4-yloxymethyl)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acidSCHEMBL2655166
Database identifiers
- PubChem CID
- 24765239
Properties
Computed structural propertiesFilling in
- XLogP
- 7.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 772
Related reactions
1 records
Compound notes
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