RefChem:823334
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|650-456-5|N-(1,3-Benzodioxol-5-YL)-2-((4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide|N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-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-(4-bromophenyl)-5-(4-pyridyl)(1,2,4- triazol-3-ylthio)]acetamide|N-benzo[1,3]dioxol-5-yl-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H16BrN5O3S |
|---|---|
| Molecular Weight | 509.01572 g/mol |
| LogP | 4.5513 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.01572 |
| Monoisotopic Mass | 509.01572 |
| Heavy Atoms | 32 |
| Complexity | 1264.5637 |
Chemical Identifiers
| CAS Number | 477331-28-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CC=NC=C5 |
Product Overview
RefChem:823334 (CAS 477331-28-5), with molecular formula C22H16BrN5O3S and molecular weight 509.01572 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.