AC1NVBLE
4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide
Also Known As: KS-00004BP2|AN-329/40210059|4-{[2-(4-morpholinylcarbonyl)phenyl]hydrazono}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide|(4E)-4-[[2-(morpholine-4-carbonyl)phenyl]hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide|4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide|(4E)-4-{2-[2-(morpholin-4-ylcarbonyl)phenyl]hydrazinylidene}-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide|(4Z)-4-[[2-(morpholine-4-carbonyl)phenyl]hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide|4-[[2-(morpholine-4-carbonyl)phenyl]hydrazinylidene]-5-oxo-3-phenylpyrazole-1-carbothioamide|morpholine, 4-[2-[(2E)-2-[1-(aminothioxomethyl)-1,5-dihydro-5-oxo-3-phenyl-4H-pyrazol-4-ylidene]hydrazino]benzoyl]-
| Molecular Formula | C21H20N6O3S |
|---|---|
| Molecular Weight | 436.13177 g/mol |
| LogP | 2.8229 |
| Topological Polar Surface Area | 118.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.13177 |
| Monoisotopic Mass | 436.13177 |
| Heavy Atoms | 31 |
| Complexity | 1195.3242 |
Chemical Identifiers
| CAS Number | 314757-99-8 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=CC=C2N=NC3=C(NN(C3=O)C(=S)N)C4=CC=CC=C4 |
Product Overview
AC1NVBLE (CAS 314757-99-8), with molecular formula C21H20N6O3S and molecular weight 436.13177 g/mol. IUPAC: 4-[[2-(morpholine-4-carbonyl)phenyl]diazenyl]-3-oxo-5-phenyl-1H-pyrazole-2-carbothioamide.
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