2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Chemical Structure Depiction of
2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2072-0799 |
| Compound Name: | 2-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide |
| Molecular Weight: | 466.29 |
| Molecular Formula: | C22 H16 Br N3 O4 |
| Smiles: | Cc1cc2c(cc1C)oc(c1cccc(c1)NC(c1cc(ccc1[Br])[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.983 |
| logD: | 5.9813 |
| logSw: | -5.5922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | UBKILTXDIBNEKI-UHFFFAOYSA-N |