2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 0808-0113 |
| Compound Name: | 2-({[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | CCOc1ccc(cc1)c1nc2cc(ccc2o1)/N=C/c1cccc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1334 |
| logD: | 3.2535 |
| logSw: | -5.0243 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.859 |
| InChI Key: | DJXXNAZZDLWNRD-UHFFFAOYSA-N |