Basic information
- Standard SMILES
CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)cn(C)c34)no2)cc1Cl- InChIKey
YCFUFWQWUVHDPF-UHFFFAOYSA-N- Molecular formula
- C22H21ClN4O4
- Average molar mass
- 440.9 g/mol
Names & identifiers
- Preferred name
- 3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]propanoic acid
- IUPAC
- 3-[7-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]propanoic acid
Names & synonyms
SCHEMBL1420603YCFUFWQWUVHDPF-UHFFFAOYSA-N3-[7-(5-{5-chloro-6-[(1-methylethyl)oxy]-3-pyridinyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]propanoic acid
Database identifiers
- PubChem CID
- 44547604
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 626
Related reactions
2 records
Compound notes
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