N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3737-0232 |
| Compound Name: | N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C23 H19 N3 O4 |
| Smiles: | Cc1cc2c(cc1C)oc(c1ccc(cc1)NC(c1cccc(c1C)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.579 |
| logD: | 5.5778 |
| logSw: | -5.4545 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | XYFGIQSRSAKJPT-UHFFFAOYSA-N |