N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,4-dinitrobenzamide
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | F019-0193 |
| Compound Name: | N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2,4-dinitrobenzamide |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C22 H16 N4 O6 |
| Smiles: | CCc1ccc2c(c1)nc(c1cccc(c1)NC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.2176 |
| logD: | 5.2115 |
| logSw: | -5.0816 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.602 |
| InChI Key: | FEHOLWGKFREXKP-UHFFFAOYSA-N |