5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1365 |
| Compound Name: | 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C19 H19 Br N6 O2 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1c(N)n(CC(Nc2ccc(cc2)[Br])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2035 |
| logD: | 3.2034 |
| logSw: | -3.136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.739 |
| InChI Key: | QJMWGQJTSXWGID-UHFFFAOYSA-N |