AC1NRM39
5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 5-Bromo-1-butyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one|5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CAS: 7066-77-5
| Molecular Formula | C28H29BrN4O3S |
|---|---|
| Molecular Weight | 580.1144 g/mol |
| LogP | 5.6042 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 580.1144 |
| Monoisotopic Mass | 580.1144 |
| Heavy Atoms | 37 |
| Complexity | 1544.1448 |
Chemical Identifiers
| CAS Number | 7066-77-5 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=C(C=CC(=C5)Br)N(C4=O)CCCC)SC3=N2 |
Product Overview
AC1NRM39 (CAS 7066-77-5), with molecular formula C28H29BrN4O3S and molecular weight 580.1144 g/mol. IUPAC: 5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-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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