Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(OC(C)C)cc3)oc2C)cc1Cl)C(=O)OC- InChIKey
QDYLDGAXZAUHGL-DEOSSOPVSA-N- Molecular formula
- C26H30ClNO6
- Average molar mass
- 488 g/mol
- Monoisotopic mass
- 487.1761654
Names & identifiers
- Preferred name
- (S)-3-{2-chloro-4-[2-(4-isopropoxy-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl}-2-ethoxy-propionic acid methyl ester
- IUPAC
- methyl (2S)-3-[2-chloro-4-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]-2-ethoxypropanoate
Names & synonyms
SCHEMBL5017399QDYLDGAXZAUHGL-DEOSSOPVSA-N(S)-3-{2-chloro-4-[2-(4-isopropoxy-phenyl)-5-methyl-oxazol-4-ylmethoxy]-phenyl}-2-ethoxy-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69280474
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 614
Related reactions
3 records
Compound notes
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