5-amino-N-(3,5-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3,5-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3,5-dimethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0634 |
| Compound Name: | 5-amino-N-(3,5-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)cc(c1)NC(c1c(N)n(CC(Nc2c(C)cc(C)cc2C)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.895 |
| logD: | 2.8949 |
| logSw: | -2.8369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.041 |
| InChI Key: | SMVHVHMXYHUPLT-UHFFFAOYSA-N |