Oprea1_350960
N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Oprea1_350960|BAS 03434962|N-(1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2H-1,3-benzodioxol-5-yl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-[4-ethyl-5-(phenoxymethyl)(1,2,4-triazo l-3-ylthio)]acetamide|N-(benzo[d][1,3]dioxol-5-yl)-2-((4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.1205 g/mol |
| LogP | 3.3365 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1205 |
| Monoisotopic Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 993.4012 |
Chemical Identifiers
| CAS Number | 484681-07-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)COC4=CC=CC=C4 |
Product Overview
Oprea1_350960 (CAS 484681-07-4), with molecular formula C20H20N4O4S and molecular weight 412.1205 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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