N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-2,4-dinitrobenzamide
N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2152-0305 |
| Compound Name: | N-{2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}-2,4-dinitrobenzamide |
| Molecular Weight: | 447.41 |
| Molecular Formula: | C22 H17 N5 O6 |
| Smiles: | CN(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4299 |
| logD: | 4.0935 |
| logSw: | -4.4708 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.407 |
| InChI Key: | DAAKKCMKMFOLKE-UHFFFAOYSA-N |