Basic information
- Standard SMILES
CC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC(=O)O)c[nH]c34)no2)cc1C(F)(F)F- InChIKey
RWDPJMFRWQGDFU-UHFFFAOYSA-N- Molecular formula
- C22H18F4N4O4
- Average molar mass
- 478.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-fluoro-7-{5-[6-[(1-methylethyl)oxy]-5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid
- IUPAC
- 3-[4-fluoro-7-[5-[6-propan-2-yloxy-5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid
Names & synonyms
3-(4-fluoro-7-{5-[6-[(1-methylethyl)oxy]-5-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acidSCHEMBL1420639
Database identifiers
- PubChem CID
- 44547762
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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