2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-ethoxy-4-nitrophenol
Chemical Structure Depiction of
2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-ethoxy-4-nitrophenol
2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-ethoxy-4-nitrophenol
Compound characteristics
| Compound ID: | 0957-0094 |
| Compound Name: | 2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-ethoxy-4-nitrophenol |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | CCOc1cc(cc(/C=N/c2cccc(c2)c2nc3ccccc3o2)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1497 |
| logD: | 3.2612 |
| logSw: | -4.984 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.247 |
| InChI Key: | JAWIFCQKZPUAIJ-UHFFFAOYSA-N |