1-[rel-(3R,3aS)-3-(2-chlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,3aS)-3-(2-chlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
1-[rel-(3R,3aS)-3-(2-chlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | D002-0025 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(2-chlorophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one |
| Molecular Weight: | 303.79 |
| Molecular Formula: | C16 H18 Cl N3 O |
| Smiles: | CC(N1[C@@H](c2ccccc2[Cl])[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7791 |
| logD: | 2.7791 |
| logSw: | -3.199 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5421 |
| InChI Key: | KZTBJOBXQFMJRD-HZPDHXFCSA-N |