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

C19H15FN2O2S — CID 7206085

IUPAC1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccccc1-c1ccc(SCC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C19H15FN2O2S/c1-24-18-5-3-2-4-15(18)16-10-11-19(22-21-16)25-12-17(23)13-6-8-14(20)9-7-13/h2-11H,12H2,1H3
InChIKeyBBQYQWXJXCRLGG-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.27
Rot. Bonds6

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

1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7206085) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID7206085
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccccc1-c1ccc(SCC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C19H15FN2O2S/c1-24-18-5-3-2-4-15(18)16-10-11-19(22-21-16)25-12-17(23)13-6-8-14(20)9-7-13/h2-11H,12H2,1H3
InChIKeyBBQYQWXJXCRLGG-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

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

1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
N-(3-acetylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206083
N-(3-chloro-2-methylphenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542753
2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 7206081
1-(4-fluorophenyl)-4-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
CID 18078943
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699383
1-(4-fluorophenyl)-2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1301447
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 43868984
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
2-(2-methoxyphenyl)sulfanyl-1-(4-methylsulfanylphenyl)ethanone
CID 61292075
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)ethanone
CID 4270357

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone (CID 7206085) is 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone is COc1ccccc1-c1ccc(SCC(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is BBQYQWXJXCRLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-24-18-5-3-2-4-15(18)16-10-11-19(22-21-16)25-12-17(23)13-6-8-14(20)9-7-13/h2-11H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[6-(2-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-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7206085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).