4-(2,6-Diethyl-4-methylphenyl)-2,6-dimethyl-5-methylsulfinyl-2,3-dihydro-3-pyridazinone
Basic information
- Standard SMILES
CCc1cc(C)cc(CC)c1-c1c(S(C)=O)c(C)nn(C)c1=O- InChIKey
FNXOWUGNBJBLIK-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2S
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.15584919
Names & identifiers
- Preferred name
- 4-(2,6-Diethyl-4-methylphenyl)-2,6-dimethyl-5-methylsulfinyl-2,3-dihydro-3-pyridazinone
- IUPAC
- 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-methylsulfinylpyridazin-3-one
Names & synonyms
SCHEMBL15063794FNXOWUGNBJBLIK-UHFFFAOYSA-N4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-methylsulfinyl-2,3-dihydro-3-pyridazinone
Database identifiers
- PubChem CID
- 86689350
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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