2-ethoxy-3-(4-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethoxy}phenyl)propanoic acid
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Basic information
- Standard SMILES
CCOC(Cc1ccc(OCCn2c(C(F)(F)F)nc3ccccc32)cc1)C(=O)O- InChIKey
ZGUDYFBXIYYGDC-UHFFFAOYSA-N- Molecular formula
- C21H21F3N2O4
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 2-ethoxy-3-(4-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethoxy}phenyl)propanoic acid
- IUPAC
- 2-ethoxy-3-[4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethoxy]phenyl]propanoic acid
Names & synonyms
2-ethoxy-3-(4-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethoxy}phenyl)propanoic acidSCHEMBL5015073
Database identifiers
- PubChem CID
- 11697486
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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