N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8544-0617 |
| Compound Name: | N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 474.32 |
| Molecular Formula: | C23 H16 Br N5 O2 |
| Smiles: | Cc1c(C(Nc2ccc(cc2)[Br])=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 5.4374 |
| logD: | 5.4332 |
| logSw: | -5.5828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.656 |
| InChI Key: | UCMSYTODQWSWCN-UHFFFAOYSA-N |