1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(thiophene-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(thiophene-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(thiophene-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0847 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(thiophene-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7848 |
| logD: | 0.7848 |
| logSw: | -1.8384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.611 |
| InChI Key: | QQNJXZGBBKOLKM-GOEBONIOSA-N |