N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 7840-3018 |
| Compound Name: | N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 428.23 |
| Molecular Formula: | C20 H11 Cl2 N3 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C(Nc1cc(ccc1[Cl])c1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5432 |
| logD: | 5.5279 |
| logSw: | -6.0941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | IPCMYROUKMKJNA-UHFFFAOYSA-N |