Basic information
- Standard SMILES
Cc1cc(-c2cc(C(=O)O)c(=O)n(CCCc3ccc(Cl)cc3)n2)ccc1F- InChIKey
YSTQRYKQTLJUPN-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN2O3
- Average molar mass
- 400.8 g/mol
Names & identifiers
- Preferred name
- 4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-2H-pyridazin-3-one
- IUPAC
- 2-[3-(4-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylic acid
Names & synonyms
SCHEMBL5584394YSTQRYKQTLJUPN-UHFFFAOYSA-N4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(4-fluoro-3-met hylphenyl)-2H-pyridazin-3-one4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(4-fluoro-3-methyl phenyl)-2h-pyridazin-3-one4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 22562298
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 658
Related reactions
2 records
Compound notes
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