N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0766 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-ethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | CCc1ccc(cc1)n1nc(CO)c(C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.494 |
| logD: | 2.494 |
| logSw: | -2.7878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.251 |
| InChI Key: | KREOBXSFISUWHZ-UHFFFAOYSA-N |