AC1MI41Z
1-[[2-(1-benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: trans-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, cis-|trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan|1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-, trans-|1-{[2-(1-Benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]|cis-1-((2-(2-Benzofuranyl)-5-methyl-5-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole|cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5-methyl-5-propyl-1,3-dioxan|1-[[2-(1-benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole|1-{[(2s,5s)-2-(1-Benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole|1-{[cis-2-(1-Benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole|1-{[trans-2-(1-Benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C19H23N3O3 |
|---|---|
| Molecular Weight | 341.17395 g/mol |
| LogP | 3.7305 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.17395 |
| Monoisotopic Mass | 341.17395 |
| Heavy Atoms | 25 |
| Complexity | 799.6064 |
Chemical Identifiers
| CAS Number | 98532-79-7 |
|---|---|
| SMILES | CCCC1(COC(OC1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)C |
Product Overview
AC1MI41Z (CAS 98532-79-7), with molecular formula C19H23N3O3 and molecular weight 341.17395 g/mol. IUPAC: 1-[[2-(1-benzofuran-2-yl)-5-methyl-5-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.