2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(pyridin-4-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(pyridin-4-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(pyridin-4-yl)methyl]-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0470 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(pyridin-4-yl)methyl]-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C18 H19 N5 O2 |
| Smiles: | Cc1ccc(cc1C)n1nc(CO)c(C(NCc2ccncc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3955 |
| logD: | 1.3922 |
| logSw: | -1.5768 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.564 |
| InChI Key: | IBHITUNZMLAGKB-UHFFFAOYSA-N |