4-[3Z-(5-Benzo[b]thien-2-yl-2,4-dimethoxyphenyl)-acryloyl]-benzoic acid

HCID 9980906
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Basic information

Standard SMILES
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C\C(=O)c1ccc(C(=O)O)cc1
InChIKey
QJONMKPOLPZFPY-QXMHVHEDSA-N
Molecular formula
C26H20O5S
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
4-[3Z-(5-Benzo[b]thien-2-yl-2,4-dimethoxyphenyl)-acryloyl]-benzoic acid
IUPAC
4-[(Z)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid

Names & synonyms

SCHEMBL6040869QJONMKPOLPZFPY-QXMHVHEDSA-N4-[3Z-(5-Benzo[b]thien-2-yl-2,4-dimethoxyphenyl)-acryloyl]-benzoic acid4-[(2Z)-3-(5-benzo[b]thien-2-yl-2,4-dimethoxyphenyl)-1-oxo-2-propenyl]-benzoic acid

Database identifiers

PubChem CID
9980906

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32

Related reactions

1 records
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Compound notes

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