N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3609 |
| Compound Name: | N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 559.76 |
| Molecular Formula: | C23 H16 Br Cl N4 O6 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5354 |
| logD: | 2.874 |
| logSw: | -5.9796 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.319 |
| InChI Key: | PQMDZHVQFRFZCL-UHFFFAOYSA-N |