N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1209-0141 |
| Compound Name: | N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C24 H21 N3 O4 |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(c1ccc(cc1)NC(c1cccc(c1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.91 |
| logD: | 5.9097 |
| logSw: | -5.5878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | WMESISZMQCLKEP-UHFFFAOYSA-N |