5-amino-N-(4-bromophenyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0788 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C19 H19 Br N6 O2 |
| Smiles: | Cc1ccc(C)c(c1)NC(Cn1c(c(C(Nc2ccc(cc2)[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5638 |
| logD: | 2.5636 |
| logSw: | -2.7953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.739 |
| InChI Key: | DUZBILSYYZKTGV-UHFFFAOYSA-N |