AC1Q4ZDN
4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: AB00655865-05|4-[({[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide|4-{2-[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benza mide|4-(2-((4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide|4-(2-{[4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide|4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide|4-[2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzamide
| Molecular Formula | C21H18N6O3S |
|---|---|
| Molecular Weight | 434.11612 g/mol |
| LogP | 2.8111 |
| Topological Polar Surface Area | 128.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.11612 |
| Monoisotopic Mass | 434.11612 |
| Heavy Atoms | 31 |
| Complexity | 1173.8225 |
Chemical Identifiers
| CAS Number | 577962-98-2 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4 |
Product Overview
AC1Q4ZDN (CAS 577962-98-2), with molecular formula C21H18N6O3S and molecular weight 434.11612 g/mol. IUPAC: 4-[[2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.