N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-bromo-5-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-bromo-5-nitrobenzamide
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-bromo-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2072-0791 |
| Compound Name: | N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-bromo-5-nitrobenzamide |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H12 Br N3 O4 |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(c1cc(ccc1[Br])[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.9857 |
| logD: | 4.9827 |
| logSw: | -4.9918 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | CIKKPJFALVCHPE-UHFFFAOYSA-N |