N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8005-7695 |
| Compound Name: | N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1ccccc1c1nc2cc(ccc2o1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7377 |
| logD: | 4.5534 |
| logSw: | -4.5972 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.903 |
| InChI Key: | XKKNCLDJXQJHDQ-UHFFFAOYSA-N |