1-[rel-(3aR,7aR)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one

Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Available: 101 mg
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mg
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Compound characteristics

Compound ID: S996-0931
Compound Name: 1-[rel-(3aR,7aR)-2-[(4-ethoxy-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Molecular Weight: 362.47
Molecular Formula: C20 H30 N2 O4
Smiles: CCOc1ccc(CN2C[C@H]3CCN(C[C@]3(C2)CO)C(C)=O)cc1OC
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 0.997
logD: -3.8593
logSw: -1.9814
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 53.209
InChI Key: NVUJJAXMQAILKT-XLIONFOSSA-N
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