(S)-2-ethoxy-3-{2-fluoro-4-[2-(2-fluoro-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl]-propionic acid
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Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3F)oc2C)cc1F)C(=O)O- InChIKey
MZVCMHCFSQNTRP-FQEVSTJZSA-N- Molecular formula
- C22H21F2NO5
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.13877909
Names & identifiers
- Preferred name
- (S)-2-ethoxy-3-{2-fluoro-4-[2-(2-fluoro-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl]-propionic acid
- IUPAC
- (2S)-2-ethoxy-3-[2-fluoro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
Names & synonyms
(S)-2-ethoxy-3-{2-fluoro-4-[2-(2-fluoro-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl]-propionic acid(S)-2-ethoxy-3-{2-fluoro-4-[2-(2-fluoro-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl}-propionic acidSCHEMBL5017411MZVCMHCFSQNTRP-FQEVSTJZSA-N
Database identifiers
- PubChem CID
- 69280484
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 554
Related reactions
2 records
Compound notes
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