AC1NJ7TK
2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
Also Known As: 2-[[4,5-Dihydro-5-oxo-4-(2-propen-1-yl)[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(2,3,4-trifluorophenyl)propanamide|2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CAS: 850348-89-9
| Molecular Formula | C21H16F3N5O2S |
|---|---|
| Molecular Weight | 459.0977 g/mol |
| LogP | 3.7668 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.0977 |
| Monoisotopic Mass | 459.0977 |
| Heavy Atoms | 32 |
| Complexity | 1432.7361 |
Chemical Identifiers
| CAS Number | 850348-89-9 |
|---|---|
| SMILES | CC(C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C |
Product Overview
AC1NJ7TK (CAS 850348-89-9), with molecular formula C21H16F3N5O2S and molecular weight 459.0977 g/mol. IUPAC: 2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide.
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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