N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1550-0973 |
| Compound Name: | N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(C)c(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.9025 |
| logD: | 4.9025 |
| logSw: | -4.6407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | TULFRNQOVUCJAA-UHFFFAOYSA-N |