3-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | K699-0074 |
| Compound Name: | 3-{[4-chloro-2-(trifluoromethyl)anilino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 389.76 |
| Molecular Formula: | C17 H15 Cl F3 N O4 |
| Smiles: | C1CCC2(CC1)OC(C(=CNc1ccc(cc1C(F)(F)F)[Cl])C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0738 |
| logD: | 3.0867 |
| logSw: | -4.5527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.233 |
| InChI Key: | OELYZWHKDKQBFU-UHFFFAOYSA-N |