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

Chemical Structure Depiction of
1-[rel-(3aR,7aS)-5-[(4-fluoro-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Available: 52 mg
Amount:
mg
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Compound characteristics

Compound ID: S858-0963
Compound Name: 1-[rel-(3aR,7aS)-5-[(4-fluoro-3-methoxyphenyl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Molecular Weight: 336.4
Molecular Formula: C18 H25 F N2 O3
Smiles: CC(N1C[C@@H]2CCN(Cc3ccc(c(c3)OC)F)C[C@@]2(C1)CO)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 1.1014
logD: -1.7767
logSw: -1.9878
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 45.999
InChI Key: WRFXDQKBFNJDSW-CRAIPNDOSA-N
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