5-amino-1-[(4-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(4-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(4-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0564 |
| Compound Name: | 5-amino-1-[(4-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.28 |
| Molecular Formula: | C18 H18 Br N5 O |
| Smiles: | Cc1ccc(CNC(c2c(N)n(Cc3ccc(cc3)[Br])nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9155 |
| logD: | 2.9155 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.61 |
| InChI Key: | QXPHLKPLXLHCJM-UHFFFAOYSA-N |