AC1NQ9IU
2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
Also Known As: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide|2-{[4-benzyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylpropanamide|2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide
CAS: 5587-98-4
| Molecular Formula | C25H23FN4OS |
|---|---|
| Molecular Weight | 446.15765 g/mol |
| LogP | 5.2761 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.15765 |
| Monoisotopic Mass | 446.15765 |
| Heavy Atoms | 32 |
| Complexity | 1197.0646 |
Chemical Identifiers
| CAS Number | 5587-98-4 |
|---|---|
| SMILES | CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F |
Product Overview
AC1NQ9IU (CAS 5587-98-4), with molecular formula C25H23FN4OS and molecular weight 446.15765 g/mol. IUPAC: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide.
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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