RefChem:236981
1-[[(2R,4R)-2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl)methyl)-, cis-|cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-dimethyl-4-propyl-1,3-dioxan|1-[[(2R,4R)-2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole|1-{[(2R,4R)-2-(1-Benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole|1-{[2-(1-Benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C20H25N3O3 |
|---|---|
| Molecular Weight | 355.1896 g/mol |
| LogP | 4.119 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.1896 |
| Monoisotopic Mass | 355.1896 |
| Heavy Atoms | 26 |
| Complexity | 838.4538 |
Chemical Identifiers
| CAS Number | 98532-80-0 |
|---|---|
| SMILES | CCC[C@@H]1C(CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C |
Product Overview
RefChem:236981 (CAS 98532-80-0), with molecular formula C20H25N3O3 and molecular weight 355.1896 g/mol. IUPAC: 1-[[(2R,4R)-2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.