6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one dihydrochloride
Basic information
- Standard SMILES
Cc1ccc(-c2cc(CN3CCN(C)CC3)c(=O)n(CC(C)C)n2)cc1F.Cl.Cl- InChIKey
XGWAOKDLCBDZMT-UHFFFAOYSA-N- Molecular formula
- C21H31Cl2FN4O
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- 6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one dihydrochloride
- IUPAC
- 6-(3-fluoro-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-(2-methylpropyl)pyridazin-3-one;dihydrochloride
Names & synonyms
SCHEMBL1925370XGWAOKDLCBDZMT-UHFFFAOYSA-N6-(3-fluoro-4-methylphenyl)-2-isobutyl-4-(4-methyl-1-piperazinyl)methyl-2H-pyridazin-3-one dihydrochloride
Database identifiers
- PubChem CID
- 21991682
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 595
Related reactions
4 records
Compound notes
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