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

C20H17FN2O2S — CID 7205969

IUPAC2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-2-25-17-9-5-14(6-10-17)18-11-12-20(23-22-18)26-13-19(24)15-3-7-16(21)8-4-15/h3-12H,2,13H2,1H3
InChIKeyQIGHGOQVYQYQJE-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.66
Rot. Bonds7

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

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 7205969) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID7205969
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-2-25-17-9-5-14(6-10-17)18-11-12-20(23-22-18)26-13-19(24)15-3-7-16(21)8-4-15/h3-12H,2,13H2,1H3
InChIKeyQIGHGOQVYQYQJE-UHFFFAOYSA-N
XLogP4.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone (CID 7205969) is 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is CCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is QIGHGOQVYQYQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-2-25-17-9-5-14(6-10-17)18-11-12-20(23-22-18)26-13-19(24)15-3-7-16(21)8-4-15/h3-12H,2,13H2,1H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone?
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone has a molecular weight of 368.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 7205969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).