1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(furan-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(furan-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(furan-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1537 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(furan-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C17 H24 N2 O4 |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(c1ccoc1)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6653 |
| logD: | 0.6653 |
| logSw: | -1.4023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.031 |
| InChI Key: | JOVWBHOMTBXCBL-NVXWUHKLSA-N |