N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-4095 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)c1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7438 |
| logD: | 4.7437 |
| logSw: | -4.521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.431 |
| InChI Key: | KUNVBBCTYXZMAI-UHFFFAOYSA-N |