5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0385 |
| Compound Name: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 418.27 |
| Molecular Formula: | C18 H17 Br F N5 O |
| Smiles: | Cc1ccc(CNC(c2c(N)n(Cc3ccc(cc3F)[Br])nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1984 |
| logD: | 3.1984 |
| logSw: | -3.2121 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.61 |
| InChI Key: | XGRUMNFVMVFLEM-UHFFFAOYSA-N |