2-(3-bromo-4-methylanilino)-4-oxo-4-phenylbut-2-enoic acid
Chemical Structure Depiction of
2-(3-bromo-4-methylanilino)-4-oxo-4-phenylbut-2-enoic acid
2-(3-bromo-4-methylanilino)-4-oxo-4-phenylbut-2-enoic acid
Compound characteristics
| Compound ID: | 8012-7262 |
| Compound Name: | 2-(3-bromo-4-methylanilino)-4-oxo-4-phenylbut-2-enoic acid |
| Molecular Weight: | 360.21 |
| Molecular Formula: | C17 H14 Br N O3 |
| Smiles: | Cc1ccc(cc1[Br])NC(=C\C(c1ccccc1)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9171 |
| logD: | -0.1843 |
| logSw: | -3.9427 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.639 |
| InChI Key: | GFGAGWFQMWVVMU-UHFFFAOYSA-N |