Basic information
- Standard SMILES
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(=O)NC(C)=O)cc1- InChIKey
GRFWRDPKFXVUGY-OUKQBFOZSA-N- Molecular formula
- C28H23NO5S
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- N-Acetyl-4-[3E-(5-benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-acryloyl]-benzamide
- IUPAC
- N-acetyl-4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzamide
Names & synonyms
CHEMBL221335SCHEMBL6040903GRFWRDPKFXVUGY-OUKQBFOZSA-NN-Acetyl-4-[3E-(5-benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-acryloyl]-benzamide
Database identifiers
- PubChem CID
- 16115758
- ChEMBL
CHEMBL221335
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 792
Related reactions
1 records
Compound notes
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