Basic information
- Standard SMILES
COC(=O)CCNC(=O)c1ccc(C(CCCC(F)(F)F)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)cc1- InChIKey
YAZJLMWSANAZHV-UHFFFAOYSA-N- Molecular formula
- C34H48F3NO4
- Average molar mass
- 591.7 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 methyl ester
- IUPAC
- methyl 3-[[4-[5,5,5-trifluoro-1-(2,4,6-tritert-butylphenoxy)pentyl]benzoyl]amino]propanoate
Names & synonyms
Racemic 3-{4-[1-(2,4,6-tri-t-butyl-phenoxy)-5,5,5-trifluoro-pentyl]-benzoylamino}-propionic acid methyl esterSCHEMBL1765873
Database identifiers
- PubChem CID
- 67153635
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 836
Related reactions
6 records
Compound notes
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