3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]propanoic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)Oc1ncc(-c2nc(-c3ccc(F)c4c(CCC(=O)O)c[nH]c34)no2)cc1Cl- InChIKey
KKONIUQMSCNBHK-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN4O4
- Average molar mass
- 444.8 g/mol
Names & identifiers
- Preferred name
- 3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]propanoic acid
- IUPAC
- 3-[7-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-1H-indol-3-yl]propanoic acid
Names & synonyms
SCHEMBL1420437KKONIUQMSCNBHK-UHFFFAOYSA-N3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]propanoic acid
Database identifiers
- PubChem CID
- 44547760
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
Related reactions
4 records
Compound notes
Loading…