N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-0707 |
| Compound Name: | N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 472.68 |
| Molecular Formula: | C20 H11 Br Cl N3 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cc(ccc1[Cl])[Br])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8446 |
| logD: | 5.8282 |
| logSw: | -6.1201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | GGPGOQPYJVVKEG-UHFFFAOYSA-N |