[Rac]-3-{7-[2-(4-tert-butyl-phenyl)-5-methyl-oxazol-4-ylmethoxy]-benzo[b]thiophen-4-yl}-2-ethoxy-propionic acid methyl ester

HCID 69556901
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Basic information

Standard SMILES
CCOC(Cc1ccc(OCc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)c2sccc12)C(=O)OC
InChIKey
BLRXETKVHJHNFL-UHFFFAOYSA-N
Molecular formula
C29H33NO5S
Average molar mass
507.6 g/mol

Names & identifiers

Preferred name
[Rac]-3-{7-[2-(4-tert-butyl-phenyl)-5-methyl-oxazol-4-ylmethoxy]-benzo[b]thiophen-4-yl}-2-ethoxy-propionic acid methyl ester
IUPAC
methyl 3-[7-[[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-1-benzothiophen-4-yl]-2-ethoxypropanoate

Names & synonyms

SCHEMBL5760975BLRXETKVHJHNFL-UHFFFAOYSA-N[rac]-3-{7-[2-(4-tert-butyl-phenyl)-5-methyl-oxazol-4-ylmethoxy]-benzo[b]thiophen-4-yl}-2-ethoxy-propionic acid methyl ester

Database identifiers

PubChem CID
69556901

Properties

Computed structural properties

XLogP
7
Topological polar surface area
99 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
36

Related reactions

1 records
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Compound notes

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