N-benzyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-benzyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0458 |
| Compound Name: | N-benzyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1C)n1nc(CO)c(C(NCc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7521 |
| logD: | 2.7521 |
| logSw: | -2.9682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.136 |
| InChI Key: | VLADTJSHBVFFTR-UHFFFAOYSA-N |