Basic information
- Standard SMILES
N#CC(=CC=Cc1ccc(O)c(O)c1)C(=O)NCc1ccncc1- InChIKey
NIBUTJYKHVLGDS-UHFFFAOYSA-N- Molecular formula
- C18H15N3O3
- Average molar mass
- 321.3 g/mol
Names & identifiers
- Preferred name
- 2-cyano-5-(3,4-dihydroxyphenyl)-N-(pyridin-4-ylmethyl)penta-2,4-dienamide
- IUPAC
- 2-cyano-5-(3,4-dihydroxyphenyl)-N-(pyridin-4-ylmethyl)penta-2,4-dienamide
Names & synonyms
SCHEMBL4487365
Database identifiers
- PubChem CID
- 73035730
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
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