C21H16BrN3O3
(10R,11S,15R,16S)-13-(4-bromophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
Also Known As: (6aR,6bS,9aR,10S)-8-(4-bromophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
CAS: 956987-69-2
| Molecular Formula | C21H16BrN3O3 |
|---|---|
| Molecular Weight | 437.0375 g/mol |
| LogP | 2.3242 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.0375 |
| Monoisotopic Mass | 437.0375 |
| Heavy Atoms | 28 |
| Complexity | 1049.1162 |
Chemical Identifiers
| CAS Number | 956987-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)Br)C(=O)N |
Product Overview
C21H16BrN3O3 (CAS 956987-69-2), with molecular formula C21H16BrN3O3 and molecular weight 437.0375 g/mol. IUPAC: (10R,11S,15R,16S)-13-(4-bromophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide.
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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