Basic information
- Standard SMILES
COc1ccc(-c2cc(C(=O)O)c(=O)n(CCCc3ccc(Cl)cc3)n2)cc1F- InChIKey
MPHMRSDIVCLHRB-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN2O4
- Average molar mass
- 416.8 g/mol
Names & identifiers
- Preferred name
- 4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
- IUPAC
- 2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
Names & synonyms
SCHEMBL5584601MPHMRSDIVCLHRB-UHFFFAOYSA-N4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-met hoxyphenyl)-2H-pyridazin-3-one4-carboxy-2-[3-(4-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 22562250
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 676
Related reactions
2 records
Compound notes
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