N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1539-0105 |
| Compound Name: | N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1096 |
| logD: | 5.1092 |
| logSw: | -5.021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | ZDDCHOPUZAQKBA-UHFFFAOYSA-N |