Basic information
- Standard SMILES
COc1cc(F)c(F)cc1-c1ccc(OCc2ccc3ccn(C(C)CC(=O)O)c3c2)cc1- InChIKey
HXMMGJFGTXUHPU-UHFFFAOYSA-N- Molecular formula
- C26H23F2NO4
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.15951454
Names & identifiers
- Preferred name
- 3-[6-(4',5'-Difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-indol-1-yl]-butyric acid
- IUPAC
- 3-[6-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]indol-1-yl]butanoic acid
Names & synonyms
SCHEMBL1759673HXMMGJFGTXUHPU-UHFFFAOYSA-N3-[6-(4',5'-difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-indol-1-yl]-butyric acid
Database identifiers
- PubChem CID
- 52939741
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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