CID5336177
(4Z)-10-bromo-4-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
Also Known As: AB00092990-01|7-bromo-2-{[5-(2,5-dimethyl-4-nitrophenyl)-2-furyl]methylene}[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one
CAS: 5674-97-5
| Molecular Formula | C21H13BrN4O4S |
|---|---|
| Molecular Weight | 495.9841 g/mol |
| LogP | 4.39944 |
| Topological Polar Surface Area | 103.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.9841 |
| Monoisotopic Mass | 495.9841 |
| Heavy Atoms | 31 |
| Complexity | 1632.8948 |
Chemical Identifiers
| CAS Number | 5674-97-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C)C2=CC=C(O2)/C=C\3/C(=O)N4C5=C(C=C(C=N5)Br)N=C4S3 |
Product Overview
CID5336177 (CAS 5674-97-5), with molecular formula C21H13BrN4O4S and molecular weight 495.9841 g/mol. IUPAC: (4Z)-10-bromo-4-[[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one.
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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