5-amino-N-(2-bromophenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2-bromophenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2-bromophenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0221 |
| Compound Name: | 5-amino-N-(2-bromophenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C20 H21 Br N6 O2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(Cn1c(c(C(Nc2ccccc2[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.663 |
| logD: | 2.6629 |
| logSw: | -2.7997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.343 |
| InChI Key: | OKIGYOUYKWWNJN-UHFFFAOYSA-N |