4-methoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
4-methoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0116 |
| Compound Name: | 4-methoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.2754 |
| logD: | 4.2753 |
| logSw: | -4.4616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | ZHNAEGVKVYYWNN-UHFFFAOYSA-N |