5-[(4-chloro-2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(4-chloro-2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(4-chloro-2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0031 |
| Compound Name: | 5-[(4-chloro-2,5-dimethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C15 H16 Cl N O6 |
| Smiles: | CC1(C)OC(C(=CNc2cc(c(cc2OC)[Cl])OC)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4682 |
| logD: | -0.6579 |
| logSw: | -3.0283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.608 |
| InChI Key: | PSUDKHOBHPBQDU-UHFFFAOYSA-N |