2-bromo-N-[3-(2-methyl-5-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(2-methyl-5-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(2-methyl-5-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-2772 |
| Compound Name: | 2-bromo-N-[3-(2-methyl-5-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 525.31 |
| Molecular Formula: | C23 H17 Br N4 O6 |
| Smiles: | Cc1ccc(cc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3869 |
| logD: | 4.1049 |
| logSw: | -4.4446 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.319 |
| InChI Key: | RBNZZOCQDLSNIT-UHFFFAOYSA-N |