AC1NRMDF
5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 5-{[3-(4-Butoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one|5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CAS: 7066-89-9
| Molecular Formula | C36H36FN5O3S |
|---|---|
| Molecular Weight | 637.2523 g/mol |
| LogP | 7.4955 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 637.2523 |
| Monoisotopic Mass | 637.2523 |
| Heavy Atoms | 46 |
| Complexity | 2018.7655 |
Chemical Identifiers
| CAS Number | 7066-89-9 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCCCC)F)C6=CC=CC=C6)SC3=N2 |
Product Overview
AC1NRMDF (CAS 7066-89-9), with molecular formula C36H36FN5O3S and molecular weight 637.2523 g/mol. IUPAC: 5-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-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.
View MSDS →
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