N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C200-7957 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3,4-dimethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C24 H21 N5 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(c2ccncc2)c(C(NCc2ccc3c(c2)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7031 |
| logD: | 3.703 |
| logSw: | -3.6865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.796 |
| InChI Key: | UMVQLVMFAFTBIZ-UHFFFAOYSA-N |