3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-fluoro-1-methyl-1H-indol-3-yl]propanoic acid
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Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3c(F)ccc4c(CCC(=O)O)cn(C)c34)no2)cc1C#N- InChIKey
PMWPJJOQQOFKJF-UHFFFAOYSA-N- Molecular formula
- C24H21FN4O4
- Average molar mass
- 448.4 g/mol
Names & identifiers
- Preferred name
- 3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-fluoro-1-methyl-1H-indol-3-yl]propanoic acid
- IUPAC
- 3-[7-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-6-fluoro-1-methylindol-3-yl]propanoic acid
Names & synonyms
SCHEMBL1420240PMWPJJOQQOFKJF-UHFFFAOYSA-N3-[7-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-fluoro-1-methyl-1H-indol-3-yl]propanoic acid
Database identifiers
- PubChem CID
- 44547320
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 745
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Related reactions
1 records
Compound notes
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