5-amino-1-[(3-bromophenyl)methyl]-N-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromophenyl)methyl]-N-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromophenyl)methyl]-N-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0791 |
| Compound Name: | 5-amino-1-[(3-bromophenyl)methyl]-N-(4-chlorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 406.67 |
| Molecular Formula: | C16 H13 Br Cl N5 O |
| Smiles: | C(c1cccc(c1)[Br])n1c(c(C(Nc2ccc(cc2)[Cl])=O)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 3.3726 |
| logD: | 3.3723 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | IPYXJIFQKKDUSX-UHFFFAOYSA-N |