1-[rel-(3R,3aS)-3-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
1-[rel-(3R,3aS)-3-(3,4,5-trimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one
Compound characteristics
| Compound ID: | D002-0022 |
| Compound Name: | 1-[rel-(3R,3aS)-3-(3,4,5-trimethoxyphenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C20 H27 N3 O4 |
| Smiles: | CCC(N1[C@@H](c2cc(c(c(c2)OC)OC)OC)[C@@H]2C(C3CCN2CC3)=N1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4591 |
| logD: | 2.4578 |
| logSw: | -2.5659 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.525 |
| InChI Key: | MYBIWFCGUADKQX-MOPGFXCFSA-N |