1-[rel-(3aR,7aS)-5-[(1H-indol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(1H-indol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aS)-5-[(1H-indol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1665 |
| Compound Name: | 1-[rel-(3aR,7aS)-5-[(1H-indol-4-yl)methyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C20 H27 N3 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1cccc2c1cc[nH]2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8019 |
| logD: | 0.5141 |
| logSw: | -2.1323 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.458 |
| InChI Key: | XSAVRIBEXOJEEQ-YLJYHZDGSA-N |