1-[rel-(3R,3aS)-3-(2,5-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-(2,5-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
1-[rel-(3R,3aS)-3-(2,5-dimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | D002-0004 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(2,5-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](c2cc(ccc2OC)OC)[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9136 |
| logD: | 2.9135 |
| logSw: | -3.0161 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.721 |
| InChI Key: | LUBYLVKWGSLIQS-MOPGFXCFSA-N |