2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone

C20H17FN2O3S — CID 7205828

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C20H17FN2O3S/c1-25-18-9-5-14(11-19(18)26-2)16-8-10-20(23-22-16)27-12-17(24)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3
InChIKeyWDSCAZRMVCYEFV-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.27
Rot. Bonds7

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 7205828) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID7205828
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C20H17FN2O3S/c1-25-18-9-5-14(11-19(18)26-2)16-8-10-20(23-22-16)27-12-17(24)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3
InChIKeyWDSCAZRMVCYEFV-UHFFFAOYSA-N
XLogP4.27
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7205820
2-((6-(3,4-Dimethoxyphenyl)pyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanone
CID 7205831
2-[6-(4-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7205890
1-(4-Methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205728
3-(1,3-Benzodioxol-5-yl)-6-benzylsulfanylpyridazine
CID 7206266
3-(1,3-Benzodioxol-5-yl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
CID 7206270
3-(1,3-Benzodioxol-5-yl)-6-[(4-methylphenyl)methylsulfanyl]pyridazine
CID 7206274
1-(4-Methoxyphenyl)-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206013
2-[6-(3-Methoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7206253
3-(1,3-Benzodioxol-5-yl)-6-[(3-fluorophenyl)methylsulfanyl]pyridazine
CID 7206267
N-(3-acetylphenyl)-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 16188115
3-(3,4-Dimethoxyphenyl)-6-((2-fluorobenzyl)thio)pyridazine
CID 7205808

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (CID 7205828) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is COc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is WDSCAZRMVCYEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-25-18-9-5-14(11-19(18)26-2)16-8-10-20(23-22-16)27-12-17(24)13-3-6-15(21)7-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone has a molecular weight of 384.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 7205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).