N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1141-0146 |
| Compound Name: | N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C21 H14 Cl N3 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)c1nc2cc(ccc2o1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.716 |
| logD: | 4.7159 |
| logSw: | -5.0099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | FISVQTMQVQBALI-UHFFFAOYSA-N |