N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
N-[3-(4-bromo-3-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2681-3607 |
| Compound Name: | N-[3-(4-bromo-3-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: | Cc1cc(ccc1[Br])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7303 |
| logD: | 4.0012 |
| logSw: | -6.0562 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.017 |
| InChI Key: | AANZMEZDMQKCIY-UHFFFAOYSA-N |