Basic information
- Standard SMILES
COc1ccc(-c2nn(CC(C)C)c(=O)c(OS(C)(=O)=O)c2C)cc1F- InChIKey
OXONTVYPLLCBHA-UHFFFAOYSA-N- Molecular formula
- C17H21FN2O5S
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.11552111
Names & identifiers
- Preferred name
- (3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonylo xy-methyl-2H-pyridazin-3-one
- IUPAC
- [6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl] methanesulfonate
Names & synonyms
SCHEMBL1924698OXONTVYPLLCBHA-UHFFFAOYSA-N(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonylo xy-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methane-sulfonyloxy-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methanesulfonylox y-methyl-2H-pyridazin-3-one6-(3-fluoro-4-methoxyphenyl)-2-isobutyl-4-methanesulfonyloxy-methyl-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991399
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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