CBMicro_027774
3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: CBMicro_027774|Oprea1_253092|Oprea1_363969|BAS 00329383|BIM-0027668.P001|SR-01000492214-1|3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline|3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline|3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline
| Molecular Formula | C20H20BrN3O2 |
|---|---|
| Molecular Weight | 413.07388 g/mol |
| LogP | 4.683 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.07388 |
| Monoisotopic Mass | 413.07388 |
| Heavy Atoms | 26 |
| Complexity | 977.46655 |
Chemical Identifiers
| CAS Number | 301352-52-3 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C3=NN=C(N31)C4=CC=C(C=C4)Br)OC)OC)C |
Product Overview
CBMicro_027774 (CAS 301352-52-3), with molecular formula C20H20BrN3O2 and molecular weight 413.07388 g/mol. IUPAC: 3-(4-bromophenyl)-8,9-dimethoxy-5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline.
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