Basic information
- Standard SMILES
Cc1ccc(-c2cc(COS(C)(=O)=O)c(=O)n(CC(C)C)n2)cc1- InChIKey
DUQCRHQRLCHHAF-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4S
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 2-isobutyl-4-methanesulfonyloxymethyl-6-(4-methylphenyl)-2H-pyridazin-3-one
- IUPAC
- [6-(4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazin-4-yl]methyl methanesulfonate
Names & synonyms
SCHEMBL1927067DUQCRHQRLCHHAF-UHFFFAOYSA-N2-isobutyl-4-methanesulfonyloxymethyl-6-(4-methylphenyl)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991589
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 623
Related reactions
25 records
Compound notes
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