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Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c(CNCC(=O)O)cn(C)c34)no2)cc1Cl- InChIKey
VVELMCFTOSZOKR-UHFFFAOYSA-N- Molecular formula
- C23H23ClN4O4
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.1407829
Names & identifiers
- Preferred name
- N-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]methyl}glycine
- IUPAC
- 2-[[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]methylamino]acetic acid
Names & synonyms
SCHEMBL1609679VVELMCFTOSZOKR-UHFFFAOYSA-NN-{[7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1-methyl-1H-indol-3-yl]methyl}glycine
Database identifiers
- PubChem CID
- 44548733
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 641
Related reactions
2 records
Compound notes
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