2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

C18H21N3O4S — CID 654821

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC
InChIInChI=1S/C18H21N3O4S/c1-23-15-5-3-13(11-16(15)24-2)14-4-6-17(20-19-14)26-12-18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyJTSDYQPIIAAEFO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.11
Rot. Bonds6

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 654821) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID654821
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC
InChIInChI=1S/C18H21N3O4S/c1-23-15-5-3-13(11-16(15)24-2)14-4-6-17(20-19-14)26-12-18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyJTSDYQPIIAAEFO-UHFFFAOYSA-N
XLogP2.11
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7205866
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
N-Cyclohexyl-2-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228003
2-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3228046
N-(3,4-dimethoxyphenethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228049
N-cyclopentyl-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7205812
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
CID 7205933
2-((6-(4-Ethoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7205954
Ethyl 4-[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7206069
N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502868

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (CID 654821) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is JTSDYQPIIAAEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-23-15-5-3-13(11-16(15)24-2)14-4-6-17(20-19-14)26-12-18(22)21-7-9-25-10-8-21/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 375.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 654821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).