3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | K699-0067 |
| Compound Name: | 3-[(2-bromo-4-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 411.21 |
| Molecular Formula: | C16 H15 Br N2 O6 |
| Smiles: | C1CCC2(CC1)OC(C(=CNc1ccc(cc1[Br])[N+]([O-])=O)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.419 |
| logD: | 0.6065 |
| logSw: | -3.8635 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.614 |
| InChI Key: | FEFYYUKXJLZQKF-UHFFFAOYSA-N |