5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0365 |
| Compound Name: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-phenyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 390.21 |
| Molecular Formula: | C16 H13 Br F N5 O |
| Smiles: | C(c1ccc(cc1F)[Br])n1c(c(C(Nc2ccccc2)=O)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 2.992 |
| logD: | 2.992 |
| logSw: | -3.415 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | AIALEEPZYBSNAM-UHFFFAOYSA-N |