3-(7-{5-[3-chloro-4,5-bis(ethyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid

HCID 44548407
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc(Cl)c1OCC
InChIKey
AXQPFDMFCFNZFD-UHFFFAOYSA-N
Molecular formula
C23H22ClN3O5
Average molar mass
455.9 g/mol

Names & identifiers

Preferred name
3-(7-{5-[3-chloro-4,5-bis(ethyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid
IUPAC
3-[7-[5-(3-chloro-4,5-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]propanoic acid

Names & synonyms

SCHEMBL1420721AXQPFDMFCFNZFD-UHFFFAOYSA-N3-(7-{5-[3-chloro-4,5-bis(ethyloxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indol-3-yl)propanoic acid

Database identifiers

PubChem CID
44548407

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

Loading…