1-[rel-(3R,3aS)-3-[4-(methylsulfanyl)phenyl]-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-[4-(methylsulfanyl)phenyl]-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
1-[rel-(3R,3aS)-3-[4-(methylsulfanyl)phenyl]-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | D002-0032 |
| Compound Name: | 1-[rel-(3R,3aS)-3-[4-(methylsulfanyl)phenyl]-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one |
| Molecular Weight: | 315.44 |
| Molecular Formula: | C17 H21 N3 O S |
| Smiles: | CC(N1[C@@H](c2ccc(cc2)SC)[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RELATIVE |
| logP: | 2.9586 |
| logD: | 2.9586 |
| logSw: | -2.9473 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.5421 |
| InChI Key: | ONBXBWPRHNZNJM-IAGOWNOFSA-N |