1-[rel-(3aR,7aR)-5-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0841 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(isoquinoline-1-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C21 H25 N3 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2729 |
| logD: | 1.2729 |
| logSw: | -2.0644 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.14 |
| InChI Key: | OPTVAJGPIYGROZ-LAUBAEHRSA-N |