AC1Q3HOK
N-(3,4-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3,4-dichlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(3,4-dichlorophenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(3,4-dichlorophenyl)-2-[[4-(2-furylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3,4-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3,4-dichlorophenyl)-2-[4-(2-furylmethyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylth io)]acetamide
| Molecular Formula | C20H15Cl2N5O2S |
|---|---|
| Molecular Weight | 459.03235 g/mol |
| LogP | 5.019 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.03235 |
| Monoisotopic Mass | 459.03235 |
| Heavy Atoms | 30 |
| Complexity | 1149.4855 |
Chemical Identifiers
| CAS Number | 577696-01-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
AC1Q3HOK (CAS 577696-01-6), with molecular formula C20H15Cl2N5O2S and molecular weight 459.03235 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.