3-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | K699-0068 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)amino]methylidene}-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 331.32 |
| Molecular Formula: | C17 H17 N O6 |
| Smiles: | C1CCC2(CC1)OC(C(=CNc1ccc3c(c1)OCO3)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3754 |
| logD: | 1.9587 |
| logSw: | -2.9116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.046 |
| InChI Key: | POPUUFAHMSQJQZ-UHFFFAOYSA-N |