2-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Chemical Structure Depiction of
2-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
2-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Compound characteristics
| Compound ID: | 8019-9448 |
| Compound Name: | 2-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C17 H19 N O5 |
| Smiles: | COc1cc(/C=C2/C(C3CCN2CC3)=O)c(c2c1OCO2)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2194 |
| logD: | -0.0618 |
| logSw: | -2.6857 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.492 |
| InChI Key: | BRJWUTGUXNZUGT-UHFFFAOYSA-N |