1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

C19H16N2O2S — CID 7205728

IUPAC1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-9-7-15(8-10-16)18(22)13-24-19-12-11-17(20-21-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyXJVZAOYDSSIWQX-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone

1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (PubChem CID 7205728) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
PubChem CID7205728
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone
SMILESCOc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-16-9-7-15(8-10-16)18(22)13-24-19-12-11-17(20-21-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyXJVZAOYDSSIWQX-UHFFFAOYSA-N
XLogP4.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.13
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-phenylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone (CID 7205728) is 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone is COc1ccc(C(=O)CSc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
The InChIKey is XJVZAOYDSSIWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-16-9-7-15(8-10-16)18(22)13-24-19-12-11-17(20-21-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone?
1-(4-methoxyphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone has a molecular weight of 336.42 g/mol, XLogP of 4.13, 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-phenylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7205728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).