6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

C17H18FN3O3S — CID 51049092

IUPAC6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESCOc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCSCC2)n1
InChIInChI=1S/C17H18FN3O3S/c1-24-15-10-12(18)2-3-13(15)14-4-5-16(22)21(19-14)11-17(23)20-6-8-25-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyDFVMVDUZVRJPCC-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.63
Rot. Bonds4

About 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one

6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (PubChem CID 51049092) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
PubChem CID51049092
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
SMILESCOc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCSCC2)n1
InChIInChI=1S/C17H18FN3O3S/c1-24-15-10-12(18)2-3-13(15)14-4-5-16(22)21(19-14)11-17(23)20-6-8-25-9-7-20/h2-5,10H,6-9,11H2,1H3
InChIKeyDFVMVDUZVRJPCC-UHFFFAOYSA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one (CID 51049092) is 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CCSCC2)n1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
The InChIKey is DFVMVDUZVRJPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-24-15-10-12(18)2-3-13(15)14-4-5-16(22)21(19-14)11-17(23)20-6-8-25-9-7-20/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one?
6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one has a molecular weight of 363.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one is sourced from PubChem (CID 51049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).