Basic information
- Standard SMILES
COc1cc(OC)c(-c2cnccn2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1- InChIKey
IAIDOUVJLSCMBS-BQYQJAHWSA-N- Molecular formula
- C22H18N2O5
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- 4-[3E-(2,4-Dimethoxy-5-pyrazin-2-yl-phenyl)-acryloyl]-benzoic acid
- IUPAC
- 4-[(E)-3-(2,4-dimethoxy-5-pyrazin-2-ylphenyl)prop-2-enoyl]benzoic acid
Names & synonyms
SCHEMBL6040868IAIDOUVJLSCMBS-BQYQJAHWSA-N4-[3E-(2,4-Dimethoxy-5-pyrazin-2-yl-phenyl)-acryloyl]-benzoic acid
Database identifiers
- PubChem CID
- 10172835
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 588
Related reactions
1 records
Compound notes
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