4-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
4-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1197 |
| Compound Name: | 4-chloro-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | CCc1ccc2c(c1)nc(c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.4188 |
| logD: | 5.4158 |
| logSw: | -6.0184 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | QERMWPOHDNZBEX-UHFFFAOYSA-N |