1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S996-0837 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(methoxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 336.45 |
| Molecular Formula: | C17 H24 N2 O3 S |
| Smiles: | CC(N1CC[C@@H]2CN(C[C@@]2(C1)COC)C(c1ccc(C)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.838 |
| logD: | 1.838 |
| logSw: | -2.2782 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.611 |
| InChI Key: | UWKQOOOLUNZVRC-RHSMWYFYSA-N |