Basic information
- Standard SMILES
COc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)cn(C)c34)no2)cc1OC- InChIKey
VFZLLCSQFKCLEX-UHFFFAOYSA-N- Molecular formula
- C22H21N3O5
- Average molar mass
- 407.4 g/mol
Names & identifiers
- Preferred name
- 3-(7-{5-[3,4-bis(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-indol-3-yl)propanoic acid
- IUPAC
- 3-[7-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]propanoic acid
Names & synonyms
SCHEMBL1420515VFZLLCSQFKCLEX-UHFFFAOYSA-N3-(7-{5-[3,4-bis(methyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-indol-3-yl)propanoic acid
Database identifiers
- PubChem CID
- 44548406
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 593
Related reactions
1 records
Compound notes
Loading…