N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
Compound ID: | D217-0716 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethoxyphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
Molecular Weight: | 396.4 |
Molecular Formula: | C20 H20 N4 O5 |
Smiles: | CCOc1ccc(cc1)n1nc(CO)c(C(NCc2ccc3c(c2)OCO3)=O)n1 |
Stereo: | ACHIRAL |
logP: | 1.9324 |
logD: | 1.9324 |
logSw: | -2.563 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 92.375 |
InChI Key: | IKJAIZFHOFPUEB-UHFFFAOYSA-N |