2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-2H-1,2,3-triazole-4-carboxamide
2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D217-0474 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-(hydroxymethyl)-N-(4-phenylbutyl)-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | Cc1ccc(cc1C)n1nc(CO)c(C(NCCCCc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8375 |
| logD: | 3.8375 |
| logSw: | -3.9047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.977 |
| InChI Key: | AODZTXMXQXOHER-UHFFFAOYSA-N |