N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4563-0157 |
| Compound Name: | N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 466.29 |
| Molecular Formula: | C22 H16 Br N3 O4 |
| Smiles: | Cc1cc(ccc1[Br])c1nc2cc(ccc2o1)NC(c1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8802 |
| logD: | 5.826 |
| logSw: | -5.5223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | JEFMLQRTSMKTOY-UHFFFAOYSA-N |