Basic information
- Standard SMILES
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(N)=O)cc1- InChIKey
MMJDXORHRWQBMK-VAWYXSNFSA-N- Molecular formula
- C26H21NO4S
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 4-[3E-(5-Benzo[b]thiophen-2-yl-2,4dimethoxy-phenyl)-acryloyl]-benzamide
- IUPAC
- 4-[(E)-3-[5-(1-benzothiophen-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzamide
Names & synonyms
CHEMBL376743SCHEMBL6040592MMJDXORHRWQBMK-VAWYXSNFSA-N4-[3E-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-acryloyl]-benzamide4-[3E-(5-Benzo[b]thiophen-2-yl-2,4dimethoxy-phenyl)-acryloyl]-benzamide
Database identifiers
- PubChem CID
- 16115757
- ChEMBL
CHEMBL376743
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 689
Related reactions
2 records
Compound notes
Loading…