1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone

C19H15FN2O2S — CID 7205889

IUPAC1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H15FN2O2S/c1-24-16-8-4-13(5-9-16)17-10-11-19(22-21-17)25-12-18(23)14-2-6-15(20)7-3-14/h2-11H,12H2,1H3
InChIKeyOWISKPFTAGBTOL-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.27
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone

1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7205889) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID7205889
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C19H15FN2O2S/c1-24-16-8-4-13(5-9-16)17-10-11-19(22-21-17)25-12-18(23)14-2-6-15(20)7-3-14/h2-11H,12H2,1H3
InChIKeyOWISKPFTAGBTOL-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699377
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7206085
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699383
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
CID 3228068
N-(4-fluorophenyl)-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 42763751
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
1-(4-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1345738
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 1272993
3-ethylsulfanyl-6-(4-fluorophenyl)pyridazine
CID 7502818
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 121031340

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone (CID 7205889) is 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone is COc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is OWISKPFTAGBTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-24-16-8-4-13(5-9-16)17-10-11-19(22-21-17)25-12-18(23)14-2-6-15(20)7-3-14/h2-11H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 354.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7205889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).