Basic information
- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(OC(CCCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)c(C(C)(C)C)c1- InChIKey
CJNURBVQWUDBKE-UHFFFAOYSA-N- Molecular formula
- C33H46F3NO4
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid
- IUPAC
- 3-[[4-[5,5,5-trifluoro-1-(2,4,6-tritert-butylphenoxy)pentyl]benzoyl]amino]propanoic acid
Names & synonyms
racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acidSCHEMBL1765238
Database identifiers
- PubChem CID
- 67153428
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 821
Related reactions
5 records
Compound notes
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