2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
Basic information
- CAS
872689-02-6- Standard SMILES
COc1ccc(-c2ccc(SCC(=O)c3cccs3)nn2)cc1- InChIKey
OCIJFLMANKATAR-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.04967004
Names & identifiers
- Preferred name
- 2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
- IUPAC
- 2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
Names & synonyms
872689-02-62-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone2-{[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl}-1-(thiophen-2-yl)ethan-1-one2-((6-(4-methoxyphenyl)pyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanoneMLS000678601CHEMBL1422949DTXSID801329057HMS2733G15AKOS024618273SMR000323830F1899-0505
Database identifiers
- CAS
872689-02-6- PubChem CID
- 7205890
- DTXSID
DTXSID801329057- ChEMBL
CHEMBL1422949
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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