1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(6-methoxypyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(6-methoxypyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(6-methoxypyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1342 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(6-methoxypyridine-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C17 H23 N3 O4 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(c1ccc(nc1)OC)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.107 |
| logD: | -0.107 |
| logSw: | -1.2386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.866 |
| InChI Key: | IYXAQGDEWVRBKB-RHSMWYFYSA-N |