Basic information
- Standard SMILES
CO[C@@H](Cc1ccc(C#CCOc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1)C(=O)O- InChIKey
SUTGZLXHOQWKRI-DEOSSOPVSA-N- Molecular formula
- C26H21FO5
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.13730193
Names & identifiers
- Preferred name
- (2S)-3-(4-{3-[4-(4-Fluoro-benzoyl)-phenoxy]-prop-1-ynyl}-phenyl)-2-methoxy-propionic acid
- IUPAC
- (2S)-3-[4-[3-[4-(4-fluorobenzoyl)phenoxy]prop-1-ynyl]phenyl]-2-methoxypropanoic acid
Names & synonyms
SCHEMBL5383421SUTGZLXHOQWKRI-DEOSSOPVSA-N(2S)-3-(4-{3-[4-(4-Fluoro-benzoyl)-phenoxy]-prop-1-ynyl}-phenyl)-2-methoxy-propionic acid
Database identifiers
- PubChem CID
- 58822979
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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