2-[(2-bromoanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-bromoanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-bromoanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 4850-0434 |
| Compound Name: | 2-[(2-bromoanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 322.2 |
| Molecular Formula: | C15 H16 Br N O2 |
| Smiles: | CC1(C)CC(C(=CNc2ccccc2[Br])C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0571 |
| logD: | 2.9737 |
| logSw: | -3.3262 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.558 |
| InChI Key: | VBDRBVWWBKFOOW-UHFFFAOYSA-N |