1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1687 |
| Compound Name: | 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 492.31 |
| Molecular Formula: | C23 H15 Br F N5 O2 |
| Smiles: | Cc1c(C(Nc2ccccc2F)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Br])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.5208 |
| logD: | 5.5156 |
| logSw: | -5.6001 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.958 |
| InChI Key: | AFGYRSYLCBXZHM-UHFFFAOYSA-N |