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 |