1-[rel-(3R,3aS)-3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
1-[rel-(3R,3aS)-3-(3,4-dichlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | D002-0008 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(3,4-dichlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one |
| Molecular Weight: | 352.26 |
| Molecular Formula: | C17 H19 Cl2 N3 O |
| Smiles: | CCC(N1[C@@H](c2ccc(c(c2)[Cl])[Cl])[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1965 |
| logD: | 4.1965 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5468 |
| InChI Key: | JGGCNAAQRHWDDW-IAGOWNOFSA-N |