Basic information
- Standard SMILES
CC(C)Cn1nc(-c2ccc(C(F)(F)F)cc2)cc(COS(C)(=O)=O)c1=O- InChIKey
QYEGUFPFWLUCLZ-UHFFFAOYSA-N- Molecular formula
- C17H19F3N2O4S
- Average molar mass
- 404.4 g/mol
Names & identifiers
- Preferred name
- 2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromet hylphenyl)-2H-pyridazin-3-one
- IUPAC
- [2-(2-methylpropyl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]methyl methanesulfonate
Names & synonyms
2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromet hylphenyl)-2H-pyridazin-3-oneSCHEMBL19268922-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethyl phenyl)-2H-pyridazin-3-one2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethylp henyl)-2H-pyridazin-3-one2-isobutyl-4-methanesulfonyloxymethyl-6-(4-trifluoromethylphenyl)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991550
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 715
Related reactions
7 records
Compound notes
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