5-amino-N-(3,4-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,4-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,4-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0633 |
| Compound Name: | 5-amino-N-(3,4-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(Cn1c(c(C(Nc2ccc(C)c(C)c2)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1894 |
| logD: | 3.1894 |
| logSw: | -2.9735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.041 |
| InChI Key: | JTUSQYUGBDIYGZ-UHFFFAOYSA-N |