AC1NSIB3
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone
Also Known As: regid7969985|AB00433480-04|AB00433480-10|SR-01000135419-1|2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(piperidin-1-yl)ethanone|F0676-0838|2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone|2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15216 g/mol |
| LogP | 2.9131 |
| Topological Polar Surface Area | 81.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.15216 |
| Monoisotopic Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 1016.51935 |
Chemical Identifiers
| CAS Number | 852437-24-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCCCC4)OC |
Product Overview
AC1NSIB3 (CAS 852437-24-2), with molecular formula C20H23N5O3S and molecular weight 413.15216 g/mol. IUPAC: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-piperidin-1-ylethanone.
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