2-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2628-3295 |
| Compound Name: | 2-bromo-N-[3-(4-chloro-3-nitroanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C22 H14 Br Cl N4 O6 |
| Smiles: | C(=C(/C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)NC(c1ccccc1[Br])=O)/c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7849 |
| logD: | 3.2525 |
| logSw: | -5.1145 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.716 |
| InChI Key: | WRWHMNCJMTXKFQ-UHFFFAOYSA-N |