N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4402-0371 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1c(cccc1NC(c1cccc(c1C)[N+]([O-])=O)=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0942 |
| logD: | 5.0929 |
| logSw: | -4.939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | WOCGBOZFLFVVCC-UHFFFAOYSA-N |