AC1NJQ6R
1-[13-(4-methoxyphenyl)-11-methyl-4-thiophen-2-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
Also Known As: 1-(10-(4-methoxyphenyl)-8-methyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone|1-[10-(4-methoxyphenyl)-8-methyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
CAS: 879562-76-2
| Molecular Formula | C22H18N4O3S |
|---|---|
| Molecular Weight | 418.10995 g/mol |
| LogP | 4.2487 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.10995 |
| Monoisotopic Mass | 418.10995 |
| Heavy Atoms | 30 |
| Complexity | 1290.1787 |
Chemical Identifiers
| CAS Number | 879562-76-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(O1)N=CN3C2=NC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)C(=O)C |
Product Overview
AC1NJQ6R (CAS 879562-76-2), with molecular formula C22H18N4O3S and molecular weight 418.10995 g/mol. IUPAC: 1-[13-(4-methoxyphenyl)-11-methyl-4-thiophen-2-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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