1-[rel-(3R,3aS)-3-(4-methylphenyl)-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-methylphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
1-[rel-(3R,3aS)-3-(4-methylphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6395-0018 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(4-methylphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethan-1-one |
| Molecular Weight: | 283.37 |
| Molecular Formula: | C17 H21 N3 O |
| Smiles: | CC(N1[C@@H](c2ccc(C)cc2)[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6627 |
| logD: | 2.6626 |
| logSw: | -2.6619 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5421 |
| InChI Key: | XIJWQBYOGUVGAT-SJORKVTESA-N |