3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine

C19H17FN2O2S — CID 7205810

IUPAC3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C19H17FN2O2S/c1-23-17-9-5-14(11-18(17)24-2)16-8-10-19(22-21-16)25-12-13-3-6-15(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyBCMGOKGEPVEBFJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.59
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine

3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine (PubChem CID 7205810) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
PubChem CID7205810
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1OC
InChIInChI=1S/C19H17FN2O2S/c1-23-17-9-5-14(11-18(17)24-2)16-8-10-19(22-21-16)25-12-13-3-6-15(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyBCMGOKGEPVEBFJ-UHFFFAOYSA-N
XLogP4.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Ethoxyphenyl)-6-ethylsulfanylpyridazine
CID 7502726
2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-phenylethanone
CID 7205820
2-[6-(3,4-Dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(4-fluorophenyl)ethanone
CID 7205828
2-((6-(3,4-Dimethoxyphenyl)pyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanone
CID 7205831
3-Benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
CID 7206031
3-((4-Fluorobenzyl)thio)-6-(2-methoxyphenyl)pyridazine
CID 7206037
3-(2-Methoxyphenyl)-6-((4-methylbenzyl)thio)pyridazine
CID 7206042
Ethyl 4-(2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetyl)piperazine-1-carboxylate
CID 16194987
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
CID 649759
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone
CID 654821
N-Cyclohexyl-2-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228003
N-(3,4-dimethoxyphenethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228049

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine (CID 7205810) is 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine is COc1ccc(-c2ccc(SCc3ccc(F)cc3)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
The InChIKey is BCMGOKGEPVEBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-23-17-9-5-14(11-18(17)24-2)16-8-10-19(22-21-16)25-12-13-3-6-15(20)7-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine?
3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine has a molecular weight of 356.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).