AC1NWIXM
1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone
Also Known As: Oprea1_179154|NCGC00099926-01|AB00106497-01|AN-655/13869023|1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone|1-[3-(ethylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone|7-acetyl-6-(3-methyl-2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl ethyl sulfide
| Molecular Formula | C19H18N4O2S2 |
|---|---|
| Molecular Weight | 398.08713 g/mol |
| LogP | 4.46462 |
| Topological Polar Surface Area | 68.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.08713 |
| Monoisotopic Mass | 398.08713 |
| Heavy Atoms | 27 |
| Complexity | 1004.87964 |
Chemical Identifiers
| CAS Number | 354775-60-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CS4)C)C(=O)C)N=N1 |
Product Overview
AC1NWIXM (CAS 354775-60-3), with molecular formula C19H18N4O2S2 and molecular weight 398.08713 g/mol. IUPAC: 1-[3-ethylsulfanyl-6-(3-methylthiophen-2-yl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]ethanone.
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