AC1NSJHE
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one
Also Known As: ML117|BAS 03819045|3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one|3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one|SR-01000500426-1|SR-01000625161-2|1-{3-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one|1-[3-(5-ethyl-1,2,4-triazino[5,6-b]indol-3-ylthio)propyl]-3-hydrobenzimidazol- 2-one|3-[3-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14194 g/mol |
| LogP | 3.8248 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14194 |
| Monoisotopic Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1382.7534 |
Chemical Identifiers
| CAS Number | 433261-68-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCCN4C5=CC=CC=C5NC4=O |
Product Overview
AC1NSJHE (CAS 433261-68-8), with molecular formula C21H20N6OS and molecular weight 404.14194 g/mol. IUPAC: 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one.
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