5-[(2-chloroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(2-chloroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(2-chloroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0002 |
| Compound Name: | 5-[(2-chloroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 281.69 |
| Molecular Formula: | C13 H12 Cl N O4 |
| Smiles: | CC1(C)OC(C(=CNc2ccccc2[Cl])C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2955 |
| logD: | 1.4409 |
| logSw: | -2.751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.347 |
| InChI Key: | JKRDXRQPIMCMIM-UHFFFAOYSA-N |