N-(2-benzyl-1,3-benzoxazol-5-yl)-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-benzyl-1,3-benzoxazol-5-yl)-3-methyl-4-nitrobenzamide
N-(2-benzyl-1,3-benzoxazol-5-yl)-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | F235-0768 |
| Compound Name: | N-(2-benzyl-1,3-benzoxazol-5-yl)-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(Cc1ccccc1)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1738 |
| logD: | 5.1687 |
| logSw: | -5.0635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.886 |
| InChI Key: | REVHPYZLVFSXJI-UHFFFAOYSA-N |