2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0463 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-[(4-methylphenyl)methyl]-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | Cc1ccc(CNC(c2c(CO)nn(c3ccc(C)c(C)c3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1755 |
| logD: | 3.1754 |
| logSw: | -3.0122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.136 |
| InChI Key: | QXYFVRKSYLNAKX-UHFFFAOYSA-N |