Basic information
- Standard SMILES
CC(C)c1cc(C(C)C)c(OC(CCCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)c(C(C)C)c1- InChIKey
VENCGBJGFCLCDM-UHFFFAOYSA-N- Molecular formula
- C30H40F3NO4
- Average molar mass
- 535.6 g/mol
Names & identifiers
- Preferred name
- Racemic 3-{4-[1-(2,4,6-triisopropyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid
- IUPAC
- 3-[[4-[5,5,5-trifluoro-1-[2,4,6-tri(propan-2-yl)phenoxy]pentyl]benzoyl]amino]propanoic acid
Names & synonyms
racemic 3-{4-[1-(2,4,6-triisopropyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acidSCHEMBL1765885
Database identifiers
- PubChem CID
- 67153640
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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