2-bromo-N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Chemical Structure Depiction of
2-bromo-N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
2-bromo-N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide
Compound characteristics
| Compound ID: | 2628-3281 |
| Compound Name: | 2-bromo-N-[3-(3-chloro-4-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-methoxybenzamide |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C23 H16 Br Cl F N3 O5 |
| Smiles: | COc1ccc(c(c1)C(NC(=C\c1cccc(c1)[N+]([O-])=O)\C(Nc1ccc(c(c1)[Cl])F)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4338 |
| logD: | 4.5894 |
| logSw: | -6.059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.179 |
| InChI Key: | VYWLIXSXRKZWNW-UHFFFAOYSA-N |