1-[rel-(3R,3aS)-3-(2,3-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Chemical Structure Depiction of
1-[rel-(3R,3aS)-3-(2,3-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
1-[rel-(3R,3aS)-3-(2,3-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | D002-0002 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(2,3-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CCC(N1[C@@H](c2cccc(c2OC)OC)[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5958 |
| logD: | 2.5958 |
| logSw: | -2.7938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.894 |
| InChI Key: | VUEHEWIFWQPJCG-MSOLQXFVSA-N |