(S)-2-methoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-4-yl)propanoic acid

HCID 44591815
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Basic information

Standard SMILES
CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)O
InChIKey
CLQWOCHQHSSRFZ-NRFANRHFSA-N
Molecular formula
C24H23NO5S
Average molar mass
437.5 g/mol
Monoisotopic mass
437.12969401

Names & identifiers

Preferred name
(S)-2-methoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-4-yl)propanoic acid
IUPAC
(2S)-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoic acid

Names & synonyms

CHEMBL484330SCHEMBL5756987CLQWOCHQHSSRFZ-NRFANRHFSA-NBDBM50278067(S)-2-methoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[b]thiophen-4-yl)propanoic acid(S)-2-methoxy-3-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-4-yl}-propionic acid

Database identifiers

PubChem CID
44591815
ChEMBL
CHEMBL484330

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
31

Related reactions

1 records
New reaction record

Compound notes

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