N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3031-0079 |
| Compound Name: | N-[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1O)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.2218 |
| logD: | 5.2145 |
| logSw: | -4.8081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.769 |
| InChI Key: | PUPLLAYPQVXLEM-UHFFFAOYSA-N |