N-[3-(4-bromo-3-methylanilino)-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(4-bromo-3-methylanilino)-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxy-3-nitrobenzamide
N-[3-(4-bromo-3-methylanilino)-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2871-3869 |
| Compound Name: | N-[3-(4-bromo-3-methylanilino)-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 555.34 |
| Molecular Formula: | C24 H19 Br N4 O7 |
| Smiles: | Cc1cc(ccc1[Br])NC(/C(=C/c1ccccc1[N+]([O-])=O)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7529 |
| logD: | 3.2933 |
| logSw: | -4.5976 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.046 |
| InChI Key: | CJMOUBWRJODBDT-UHFFFAOYSA-N |