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Basic information
- Standard SMILES
COc1cc(OC)c(-c2nn[nH]n2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1- InChIKey
IMIQLCVLYJVZGJ-BQYQJAHWSA-N- Molecular formula
- C19H16N4O5
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.11206962
Names & identifiers
- Preferred name
- 4-{3E-[2,4-Dimethoxy-5-(2H-tetrazol-5-yl)-phenyl]-acryloyl}-benzoic acid
- IUPAC
- 4-[(E)-3-[2,4-dimethoxy-5-(2H-tetrazol-5-yl)phenyl]prop-2-enoyl]benzoic acid
Names & synonyms
SCHEMBL6040880IMIQLCVLYJVZGJ-BQYQJAHWSA-N4-{3E-[2,4-Dimethoxy-5-(2H-tetrazol-5-yl)-phenyl]-acryloyl}-benzoic acid
Database identifiers
- PubChem CID
- 10126430
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
Related reactions
1 records
Compound notes
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