3-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
3-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0168 |
| Compound Name: | 3-methyl-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1ccccc1c1nc2cc(ccc2o1)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1914 |
| logD: | 5.1852 |
| logSw: | -5.0184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | GQRXRVZMZJMEHN-UHFFFAOYSA-N |