N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4402-0888 |
| Compound Name: | N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1)c1nc2cc(C)cc(C)c2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2282 |
| logD: | 5.228 |
| logSw: | -5.0715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.664 |
| InChI Key: | ZZYBTXUNQQNJJS-UHFFFAOYSA-N |