N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L741-1074 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-ethoxyphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccncc2)c(C(NCc2ccc3c(c2)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9445 |
| logD: | 2.9445 |
| logSw: | -3.1411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.92 |
| InChI Key: | TUGSCZHNKZBNQM-UHFFFAOYSA-N |