Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccccc2)cc(OS(C)(=O)=O)c1=O- InChIKey
ODJXUKOCQRKATF-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4S
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 2-isobutyl-4-methanesulfonyloxy-6-phenyl-2H-pyridazin-3-one
- IUPAC
- [2-(2-methylpropyl)-3-oxo-6-phenylpyridazin-4-yl] methanesulfonate
Names & synonyms
SCHEMBL1925748ODJXUKOCQRKATF-UHFFFAOYSA-N2-isobutyl-4-methanesulfonyloxy-6-phenyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991554
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 581
Related reactions
3 records
Compound notes
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