N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0491 |
| Compound Name: | N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C23 H18 Cl N3 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cc(ccc1[Cl])c1nc2cc(C)ccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3391 |
| logD: | 5.3315 |
| logSw: | -5.897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.733 |
| InChI Key: | OIGWBVUCODMOHS-UHFFFAOYSA-N |