1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-1717 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(methoxymethyl)-5-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C22 H31 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)Cc1cn(C)c2ccc(cc12)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.917 |
| logD: | -1.8888 |
| logSw: | -2.3686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.781 |
| InChI Key: | PPRGHMSGRMDDNT-XMSQKQJNSA-N |