RefChem:236963
1-[[(2R,6S)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-, cis-|cis-1-((2-(2-Benzofuranyl)-4,4,6-trimethyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole|cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan [German]|cis-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4,4,6-trimethyl-1,3-dioxan|1-{[2-(1-Benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole|1-[[(2R,6S)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole|1-{[(2R,6S)-2-(1-Benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole
| Molecular Formula | C18H21N3O3 |
|---|---|
| Molecular Weight | 327.1583 g/mol |
| LogP | 3.4813 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1583 |
| Monoisotopic Mass | 327.1583 |
| Heavy Atoms | 24 |
| Complexity | 807.20105 |
Chemical Identifiers
| CAS Number | 98532-82-2 |
|---|---|
| SMILES | C[C@H]1CC(O[C@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C |
Product Overview
RefChem:236963 (CAS 98532-82-2), with molecular formula C18H21N3O3 and molecular weight 327.1583 g/mol. IUPAC: 1-[[(2R,6S)-2-(1-benzofuran-2-yl)-4,4,6-trimethyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.
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