Basic information
- Standard SMILES
C=CCCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(C)C)cc3)oc2C)c2ccsc12)C(=O)O- InChIKey
FBXYIRYPHCXXFI-MHZLTWQESA-N- Molecular formula
- C30H33NO5S
- Average molar mass
- 519.7 g/mol
Names & identifiers
- Preferred name
- (s)-2-But-3-enyloxy-3-(4-{2-[2-(4-isopropyl-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-benzo[b]thiophen-7-yl)-propionic acid
- IUPAC
- (2S)-2-but-3-enoxy-3-[4-[2-[5-methyl-2-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]propanoic acid
Names & synonyms
SCHEMBL5759287FBXYIRYPHCXXFI-MHZLTWQESA-N(s)-2-but-3-enyloxy-3-(4-{2-[2-(4-isopropyl-phenyl)-5-methyl-oxazol-4-yl]-ethoxy}-benzo[b]thiophen-7-yl)-propionic acid
Database identifiers
- PubChem CID
- 69556375
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
Related reactions
1 records
Compound notes
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