2-[(2-benzoyl-4-chloroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(2-benzoyl-4-chloroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(2-benzoyl-4-chloroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 2567-0122 |
| Compound Name: | 2-[(2-benzoyl-4-chloroanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(cc2C(c2ccccc2)=O)[Cl])C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2953 |
| logD: | 2.5303 |
| logSw: | -4.6211 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.025 |
| InChI Key: | MXYCFZXKUMVKTR-UHFFFAOYSA-N |