N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | F019-0198 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C21 H14 N4 O6 |
| Smiles: | Cc1c(cccc1NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8179 |
| logD: | 4.8131 |
| logSw: | -4.5982 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.205 |
| InChI Key: | QMSDVAMHZKAZPF-UHFFFAOYSA-N |