AC1LMJDR
2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F1710-0061|2-((5-((quinolin-8-yloxy)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|2-({5-[(quinolin-8-yloxy)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide|{5-[(8-quinolyloxy)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylthio}acetamide|2-{5-(8-quinolyloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-ylthi o}acetamide
| Molecular Formula | C21H16F3N5O2S |
|---|---|
| Molecular Weight | 459.0977 g/mol |
| LogP | 3.9907 |
| Topological Polar Surface Area | 95.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.0977 |
| Monoisotopic Mass | 459.0977 |
| Heavy Atoms | 32 |
| Complexity | 1270.5177 |
Chemical Identifiers
| CAS Number | 690249-08-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OCC3=NN=C(N3C4=CC=CC(=C4)C(F)(F)F)SCC(=O)N)N=CC=C2 |
Product Overview
AC1LMJDR (CAS 690249-08-2), with molecular formula C21H16F3N5O2S and molecular weight 459.0977 g/mol. IUPAC: 2-[[5-(quinolin-8-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.