1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(1H-indol-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(1H-indol-3-yl)ethan-1-one
1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S997-0326 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-acetyl-7a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(1H-indol-3-yl)ethan-1-one |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(Cc1c[nH]c2ccccc12)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8983 |
| logD: | 0.8983 |
| logSw: | -1.8791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.628 |
| InChI Key: | DWEGYPMCSUTFPS-OXQOHEQNSA-N |