N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3617 |
| Compound Name: | N-[3-(2-bromoanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C22 H14 Br Cl N4 O6 |
| Smiles: | C(=C(/C(Nc1ccccc1[Br])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0168 |
| logD: | 2.3554 |
| logSw: | -5.3341 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.319 |
| InChI Key: | NYBYDSDTJXTOPE-UHFFFAOYSA-N |