N-butyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-butyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
N-butyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0454 |
| Compound Name: | N-butyl-2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C16 H22 N4 O2 |
| Smiles: | CCCCNC(c1c(CO)nn(c2ccc(C)c(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5646 |
| logD: | 2.5646 |
| logSw: | -2.7131 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.249 |
| InChI Key: | LZMPITWPJUYRPR-UHFFFAOYSA-N |