RefChem:236969
1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: 1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-|trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-methoxymethyl-1,3-dioxolan|trans-1-((2-(2-Benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole|1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole|1-{[(2R,4S)-2-(1-Benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, cis-
| Molecular Formula | C16H17N3O4 |
|---|---|
| Molecular Weight | 315.12192 g/mol |
| LogP | 1.9391 |
| Topological Polar Surface Area | 71.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.12192 |
| Monoisotopic Mass | 315.12192 |
| Heavy Atoms | 23 |
| Complexity | 752.5884 |
Chemical Identifiers
| CAS Number | 98519-28-9 |
|---|---|
| SMILES | COC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3 |
Product Overview
RefChem:236969 (CAS 98519-28-9), with molecular formula C16H17N3O4 and molecular weight 315.12192 g/mol. IUPAC: 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole.
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