N-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L806-1597 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dimethylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C23 H19 N5 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(c2cccnc2)c(C(Nc2ccc3c(c2)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0622 |
| logD: | 4.0621 |
| logSw: | -3.8353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.564 |
| InChI Key: | BRSNSFSLEQIAML-UHFFFAOYSA-N |