AC1LL1Q3
16-(4-bromoanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: Oprea1_199767|Oprea1_622045|BAS 00312805|BRD-K93130636-001-01-8|11-((4-bromophenyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-[(4-bromophenyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[1, 2-d]pyridine-4-carbonitrile|11-[(4-bromophenyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS: 305331-97-9
| Molecular Formula | C21H15BrN4 |
|---|---|
| Molecular Weight | 402.048 g/mol |
| LogP | 5.35398 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.048 |
| Monoisotopic Mass | 402.048 |
| Heavy Atoms | 26 |
| Complexity | 1199.1074 |
Chemical Identifiers
| CAS Number | 305331-97-9 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)Br)C#N |
Product Overview
AC1LL1Q3 (CAS 305331-97-9), with molecular formula C21H15BrN4 and molecular weight 402.048 g/mol. IUPAC: 16-(4-bromoanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
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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