Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3C)oc2C)cc1C)C(=O)O- InChIKey
DEEKMAXSSYRDKY-QFIPXVFZSA-N- Molecular formula
- C24H27NO5
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.18892296
Names & identifiers
- Preferred name
- (S)-2-Ethoxy-3-[2-methyl-4-(5-methyl-2-o-tolyl-oxazol-4-ylmethoxy)-phenyl]-propionic acid
- IUPAC
- (2S)-2-ethoxy-3-[2-methyl-4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL5017421DEEKMAXSSYRDKY-QFIPXVFZSA-N(S)-2-Ethoxy-3-[2-methyl-4-(5-methyl-2-o-tolyl-oxazol-4-ylmethoxy)-phenyl]-propionic acid
Database identifiers
- PubChem CID
- 10070082
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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