2-bromo-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-2786 |
| Compound Name: | 2-bromo-N-[3-(4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 511.29 |
| Molecular Formula: | C22 H15 Br N4 O6 |
| Smiles: | C(=C(/C(Nc1ccc(cc1)[N+]([O-])=O)=O)NC(c1ccccc1[Br])=O)\c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3186 |
| logD: | 3.6348 |
| logSw: | -4.5653 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.017 |
| InChI Key: | ZRLKQKIVTCPUOZ-UHFFFAOYSA-N |