3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

C18H15FN2OS — CID 7206037

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H15FN2OS/c1-22-17-5-3-2-4-15(17)16-10-11-18(21-20-16)23-12-13-6-8-14(19)9-7-13/h2-11H,12H2,1H3
InChIKeySLGJGPITJUBOBZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.58
Rot. Bonds5

About 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (PubChem CID 7206037) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
PubChem CID7206037
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc(F)cc2)nn1
InChIInChI=1S/C18H15FN2OS/c1-22-17-5-3-2-4-15(17)16-10-11-18(21-20-16)23-12-13-6-8-14(19)9-7-13/h2-11H,12H2,1H3
InChIKeySLGJGPITJUBOBZ-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (CID 7206037) is 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is COc1ccccc1-c1ccc(SCc2ccc(F)cc2)nn1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The InChIKey is SLGJGPITJUBOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-22-17-5-3-2-4-15(17)16-10-11-18(21-20-16)23-12-13-6-8-14(19)9-7-13/h2-11H,12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine has a molecular weight of 326.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 7206037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).