AC1Q2EOK
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-((4-allyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide|N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[5-(2-methylphenyl)-4-prop-2-enyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14127 g/mol |
| LogP | 3.94152 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.14127 |
| Monoisotopic Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1079.9946 |
Chemical Identifiers
| CAS Number | 899396-05-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC4=C(C=C3)OCCO4 |
Product Overview
AC1Q2EOK (CAS 899396-05-5), with molecular formula C22H22N4O3S and molecular weight 422.14127 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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