AC1MRECR
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: AB00726950-01|2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide|2-((4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide|2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide|N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[5-(4-chlorophenyl)-4-prop-2-enyl(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H19ClN4O3S |
|---|---|
| Molecular Weight | 442.08664 g/mol |
| LogP | 4.2865 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.08664 |
| Monoisotopic Mass | 442.08664 |
| Heavy Atoms | 30 |
| Complexity | 1068.6135 |
Chemical Identifiers
| CAS Number | 784174-40-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)Cl |
Product Overview
AC1MRECR (CAS 784174-40-9), with molecular formula C21H19ClN4O3S and molecular weight 442.08664 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
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