AC1Q2KPJ
2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide|2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide|2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide|2-[4-(4-methylphenyl)-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]-N-[3-(trifluo romethyl)phenyl]acetamide
| Molecular Formula | C25H21F3N4O2S |
|---|---|
| Molecular Weight | 498.13373 g/mol |
| LogP | 5.90432 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.13373 |
| Monoisotopic Mass | 498.13373 |
| Heavy Atoms | 35 |
| Complexity | 1292.3223 |
Chemical Identifiers
| CAS Number | 899412-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)COC4=CC=CC=C4 |
Product Overview
AC1Q2KPJ (CAS 899412-66-9), with molecular formula C25H21F3N4O2S and molecular weight 498.13373 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.