5-{[2-chloro-5-(trifluoromethyl)anilino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-{[2-chloro-5-(trifluoromethyl)anilino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[2-chloro-5-(trifluoromethyl)anilino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0023 |
| Compound Name: | 5-{[2-chloro-5-(trifluoromethyl)anilino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 349.69 |
| Molecular Formula: | C14 H11 Cl F3 N O4 |
| Smiles: | CC1(C)OC(C(=CNc2cc(ccc2[Cl])C(F)(F)F)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3367 |
| logD: | 0.1415 |
| logSw: | -3.6841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.347 |
| InChI Key: | XVEGYTOXAYIBLG-UHFFFAOYSA-N |