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

C20H18N2O2S — CID 7206013

IUPAC1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-3-5-15(6-4-14)18-11-12-20(22-21-18)25-13-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3
InChIKeyVXRKBLFTZSIQFK-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.44
Rot. Bonds6

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

1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 7206013) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID7206013
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-3-5-15(6-4-14)18-11-12-20(22-21-18)25-13-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3
InChIKeyVXRKBLFTZSIQFK-UHFFFAOYSA-N
XLogP4.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone (CID 7206013) is 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone is COc1ccc(C(=O)CSc2ccc(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is VXRKBLFTZSIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-3-5-15(6-4-14)18-11-12-20(22-21-18)25-13-19(23)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 350.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 7206013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).