1-{2-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]ethyl}-3-azetidinecarboxylic acid
Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCN5CC(C(=O)O)C5)cn(C)c34)no2)cc1Cl- InChIKey
XIJNMFXFIVYVIH-UHFFFAOYSA-N- Molecular formula
- C26H27ClN4O4
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.172083
Names & identifiers
- Preferred name
- 1-{2-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]ethyl}-3-azetidinecarboxylic acid
- IUPAC
- 1-[2-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]ethyl]azetidine-3-carboxylic acid
Names & synonyms
SCHEMBL1420771XIJNMFXFIVYVIH-UHFFFAOYSA-N1-{2-[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]ethyl}-3-azetidinecarboxylic acid
Database identifiers
- PubChem CID
- 44549034
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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