1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-[(furan-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-[(furan-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-[(furan-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1899 |
| Compound Name: | 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-[(furan-2-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 478.3 |
| Molecular Formula: | C22 H16 Br N5 O3 |
| Smiles: | Cc1c(C(NCc2ccco2)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Br])on2 |
| Stereo: | ACHIRAL |
| logP: | 4.8844 |
| logD: | 4.8843 |
| logSw: | -4.7216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.727 |
| InChI Key: | IHZMADDDVIRCDS-UHFFFAOYSA-N |