AC1Q4ZDG
4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-{2-[5-(2-fluorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-ylthio]acetylamino} benzamide|4-(2-((5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide|4-(2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide|4-[({[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide|4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C22H18FN5O3S |
|---|---|
| Molecular Weight | 451.11145 g/mol |
| LogP | 3.5552 |
| Topological Polar Surface Area | 116.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.11145 |
| Monoisotopic Mass | 451.11145 |
| Heavy Atoms | 32 |
| Complexity | 1238.957 |
Chemical Identifiers
| CAS Number | 849005-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)C(=O)N)F |
Product Overview
AC1Q4ZDG (CAS 849005-40-9), with molecular formula C22H18FN5O3S and molecular weight 451.11145 g/mol. IUPAC: 4-[[2-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.