5-amino-N-(4-bromophenyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0787 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C19 H19 Br N6 O2 |
| Smiles: | Cc1ccc(cc1C)NC(Cn1c(c(C(Nc2ccc(cc2)[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5101 |
| logD: | 3.5098 |
| logSw: | -3.6958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.437 |
| InChI Key: | WIJWGLZJNRIHRB-UHFFFAOYSA-N |