N-(3-acetylphenyl)-2-[6-oxo-3-(thiomorpholin-4-yl)pyridazin-1(6H)-yl]acetamide
Basic information
- CAS
1324094-50-9- Standard SMILES
CC(=O)c1cccc(NC(=O)Cn2nc(N3CCSCC3)ccc2=O)c1- InChIKey
CTLRECHCOIRIAT-UHFFFAOYSA-N- Molecular formula
- C18H20N4O3S
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- N-(3-acetylphenyl)-2-[6-oxo-3-(thiomorpholin-4-yl)pyridazin-1(6H)-yl]acetamide
- IUPAC
- N-(3-acetylphenyl)-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
- English name
- N-(3-acetylphenyl)-2-[6-oxo-3-(thiomorpholin-4-yl)pyridazin-1(6H)-yl]acetamide
- Molecular formula
- C18H20N4O3S
- Molecular weight
- 372.44
Names & synonyms
N-(3-acetylphenyl)-2-[6-oxo-3-(thiomorpholin-4-yl)pyridazin-1(6H)-yl]acetamide1324094-50-9N-(3-acetylphenyl)-2-(6-oxo-3-thiomorpholinopyridazin-1(6H)-yl)acetamideSTL156186AKOS0057557421(6H)-Pyridazineacetamide, N-(3-acetylphenyl)-6-oxo-3-(4-thiomorpholinyl)-
Database identifiers
- CAS
1324094-50-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 628
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
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Compound notes
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