2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(3-methylbutyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(3-methylbutyl)-2H-1,2,3-triazole-4-carboxamide
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(3-methylbutyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0455 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(3-methylbutyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C17 H24 N4 O2 |
| Smiles: | CC(C)CCNC(c1c(CO)nn(c2ccc(C)c(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7785 |
| logD: | 2.7785 |
| logSw: | -3.0042 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.249 |
| InChI Key: | VVHNKSRNQWLEDP-UHFFFAOYSA-N |