N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-3266 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 405.37 |
| Molecular Formula: | C21 H15 N3 O6 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2o1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4753 |
| logD: | 4.475 |
| logSw: | -4.2142 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.399 |
| InChI Key: | MSQMFMPDFFNQDD-UHFFFAOYSA-N |