RefChem:236982 structure

RefChem:236982

1-[[(2R,4S)-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)-, trans-|trans-2-(Benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-5,5-dimethyl-4-propyl-1,3-dioxan|trans-1-((2-(2-Benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl)methyl)-1H-1,2,4-triazole|1-[[(2R,4S)-2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole|1-{[(2R,4S)-2-(1-Benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl}-1H-1,2,4-triazole|1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl)methyl)-, cis-

CAS: 98519-34-7
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 98519-34-7
SMILES CCC[C@H]1C(CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC=CC=C4O3)(C)C

Product Overview

RefChem:236982 (CAS 98519-34-7), with molecular formula C20H25N3O3 and molecular weight 355.1896 g/mol. IUPAC: 1-[[(2R,4S)-2-(1-benzofuran-2-yl)-5,5-dimethyl-4-propyl-1,3-dioxan-2-yl]methyl]-1,2,4-triazole.

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