2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 7418-0277 |
| Compound Name: | 2-chloro-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide |
| Molecular Weight: | 423.81 |
| Molecular Formula: | C21 H14 Cl N3 O5 |
| Smiles: | COc1ccc2c(c1)nc(c1cccc(c1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 5.0562 |
| logD: | 5.056 |
| logSw: | -5.3778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.065 |
| InChI Key: | YCYDTDNRJOAEDE-UHFFFAOYSA-N |