2-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0102 |
| Compound Name: | 2-[(4-chloro-2,5-dimethoxyanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 337.8 |
| Molecular Formula: | C17 H20 Cl N O4 |
| Smiles: | CC1(C)CC(C(=CNc2cc(c(cc2OC)[Cl])OC)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0936 |
| logD: | 0.5209 |
| logSw: | -3.2068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.819 |
| InChI Key: | HBWAXSGNKZKEGC-UHFFFAOYSA-N |