N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2152-0302 |
| Compound Name: | N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-3-nitrobenzamide |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | CN(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5824 |
| logD: | 4.5659 |
| logSw: | -4.5656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.326 |
| InChI Key: | NGZJVHNIXFZJDN-UHFFFAOYSA-N |