2-[(4-bromoanilino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(4-bromoanilino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
2-[(4-bromoanilino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3410-1688 |
| Compound Name: | 2-[(4-bromoanilino)methylidene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C20 H18 Br N O3 |
| Smiles: | COc1ccc(cc1)C1CC(C(=CNc2ccc(cc2)[Br])C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6828 |
| logD: | 4.314 |
| logSw: | -4.4583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.528 |
| InChI Key: | VTRRBXGNUVBVMF-UHFFFAOYSA-N |