AC1Q4IPK
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-((4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-(trifluoromethyl)phenyl)acetamide|N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(phenoxymethyl)-4-prop-2-enyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H18ClF3N4O2S |
|---|---|
| Molecular Weight | 482.0791 g/mol |
| LogP | 5.4461 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 482.0791 |
| Monoisotopic Mass | 482.0791 |
| Heavy Atoms | 32 |
| Complexity | 1090.3939 |
Chemical Identifiers
| CAS Number | 861111-40-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F)COC3=CC=CC=C3 |
Product Overview
AC1Q4IPK (CAS 861111-40-2), with molecular formula C21H18ClF3N4O2S and molecular weight 482.0791 g/mol. IUPAC: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.