3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one
Chemical Structure Depiction of
3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one
3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one
Compound characteristics
| Compound ID: | 8019-7502 |
| Compound Name: | 3,5-bis[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C26 H27 N O9 |
| Smiles: | CN1C/C(=C\c2cc(c3c(c2OC)OCO3)OC)C(C(\C1)=C/c1cc(c2c(c1OC)OCO2)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9128 |
| logD: | 2.9127 |
| logSw: | -3.1644 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.04 |
| InChI Key: | NYDQECGSPKKQTK-UHFFFAOYSA-N |