Basic information
- Standard SMILES
Cc1cc(CO)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O- InChIKey
GNRQSYIYJJVFHV-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxy-2-[2-(4-hydroxymethyl-2-methyl-phenyl)-2-oxo-ethyl]-2H-pyridazin-3-one
- IUPAC
- 2-[2-[4-(hydroxymethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
Names & synonyms
SCHEMBL15238364GNRQSYIYJJVFHV-UHFFFAOYSA-N5-Benzyloxy-2-[2-(4-hydroxymethyl-2-methyl-phenyl)-2-oxo-ethyl]-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 86695545
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 595
Related reactions
3 records
Compound notes
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