AC1Q3YKA
N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3 -ylthio))acetamide|N-(benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.08957 g/mol |
| LogP | 2.3366 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Monoisotopic Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 944.82635 |
Chemical Identifiers
| CAS Number | 677759-06-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=NC=C4 |
Product Overview
AC1Q3YKA (CAS 677759-06-7), with molecular formula C17H15N5O3S and molecular weight 369.08957 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.