2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
Basic information
- CAS
872688-87-4- Standard SMILES
COc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1OC- InChIKey
WDSCAZRMVCYEFV-UHFFFAOYSA-N- Molecular formula
- C20H17FN2O3S
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.09439174
Names & identifiers
- Preferred name
- 2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
- IUPAC
- 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
Names & synonyms
872688-87-42-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone2-{[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-1-(4-fluorophenyl)ethanoneMLS000678588CHEMBL1603288DTXSID401326851HMS2734F03AKOS024618246SMR000323825F1899-0399
Database identifiers
- CAS
872688-87-4- PubChem CID
- 7205828
- DTXSID
DTXSID401326851- ChEMBL
CHEMBL1603288
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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