5-amino-N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0041 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 386.25 |
| Molecular Formula: | C17 H16 Br N5 O |
| Smiles: | Cc1ccc(Cn2c(c(C(Nc3ccc(cc3)[Br])=O)nn2)N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3242 |
| logD: | 3.3239 |
| logSw: | -3.4958 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | HBMZWJMYGZEWBJ-UHFFFAOYSA-N |