N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide
N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide
Compound characteristics
| Compound ID: | C301-0548 |
| Compound Name: | N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-2-hydroxy-4-oxobut-2-enamide |
| Molecular Weight: | 406.23 |
| Molecular Formula: | C18 H16 Br N O5 |
| Smiles: | COc1ccc(c(c1)C(/C=C(/C(Nc1ccc(cc1)[Br])=O)O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.492 |
| logD: | 3.4505 |
| logSw: | -3.807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.312 |
| InChI Key: | KGXFSRSECTYHQH-UHFFFAOYSA-N |