5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0453 |
| Compound Name: | 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 463.72 |
| Molecular Formula: | C18 H16 Br Cl N6 O2 |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1c(N)n(CC(Nc2ccc(cc2)[Br])=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7086 |
| logD: | 2.7085 |
| logSw: | -3.4977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | NRLKURVSDFBYNJ-UHFFFAOYSA-N |