N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-bromo-5-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-bromo-5-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-bromo-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2072-0801 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-bromo-5-nitrobenzamide |
| Molecular Weight: | 472.68 |
| Molecular Formula: | C20 H11 Br Cl N3 O4 |
| Smiles: | c1ccc2c(c1)nc(c1cc(ccc1[Cl])NC(c1cc(ccc1[Br])[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.714 |
| logD: | 5.616 |
| logSw: | -6.0771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | DFHHJUHZZDGKED-UHFFFAOYSA-N |