Basic information
- Standard SMILES
COc1cc(OC)c(-c2cccs2)cc1C=CC(=O)c1cccc(C(=O)O)c1- InChIKey
SGBBBNPYDRDZBJ-UHFFFAOYSA-N- Molecular formula
- C22H18O5S
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2,4-Dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid
- IUPAC
- 3-[3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid
Names & synonyms
SCHEMBL6040850
Database identifiers
- PubChem CID
- 69645886
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 577
Related reactions
1 records
Compound notes
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