AC1MYDPV
2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
Also Known As: 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone|2-{[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone|2-((5-(4-BROMOPHENYL)-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-ETHOXYPHENYL)ETHANONE|2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone|644-813-4
| Molecular Formula | C26H22BrN3O4S |
|---|---|
| Molecular Weight | 551.05145 g/mol |
| LogP | 5.8417 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.05145 |
| Monoisotopic Mass | 551.05145 |
| Heavy Atoms | 35 |
| Complexity | 1339.9716 |
Chemical Identifiers
| CAS Number | 618441-22-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Br |
Product Overview
AC1MYDPV (CAS 618441-22-8), with molecular formula C26H22BrN3O4S and molecular weight 551.05145 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone.
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