2-(2-bromo-4,5-dimethylanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
2-(2-bromo-4,5-dimethylanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
2-(2-bromo-4,5-dimethylanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | C301-0631 |
| Compound Name: | 2-(2-bromo-4,5-dimethylanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 404.26 |
| Molecular Formula: | C19 H18 Br N O4 |
| Smiles: | Cc1cc(c(cc1C)[Br])NC(=C/C(c1cccc(c1)OC)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5816 |
| logD: | 0.6533 |
| logSw: | -4.4377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.485 |
| InChI Key: | MZTPXOXDDUJQQN-UHFFFAOYSA-N |