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

Chemical Structure Depiction of
1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Available: 143 mg
Amount:
mg
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Compound characteristics

Compound ID: S858-3623
Compound Name: 1-{rel-(3aR,7aR)-3a-(hydroxymethyl)-2-[(4-propoxyphenyl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Molecular Weight: 346.47
Molecular Formula: C20 H30 N2 O3
Smiles: CCCOc1ccc(CN2C[C@@H]3CCN(C[C@@]3(C2)CO)C(C)=O)cc1
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.0378
logD: -1.3719
logSw: -2.1238
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 45.786
InChI Key: JRHVRDACUUWWRA-QUCCMNQESA-N
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