N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | 2080-0360 |
| Compound Name: | N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1cccc(c1)NC(c1ccccc1[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.1756 |
| logD: | 5.1715 |
| logSw: | -5.0384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.453 |
| InChI Key: | SZDMHUBJMGLUQR-UHFFFAOYSA-N |