4-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-phenylcyclopentane-1-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-phenylcyclopentane-1-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Available: 25 mg
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mg
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Compound characteristics

Compound ID: S948-0003
Compound Name: 4-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-phenylcyclopentane-1-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 497.56
Molecular Formula: C28 H30 F3 N3 O2
Smiles: [H]OC[C@]12CCN(C[C@@H]2CN(C1)C(C1(CCCC1)c1ccccc1)=O)c1ccc(C#N)c(c1)C(F)(F)F
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 4.1085
logD: 4.1085
logSw: -4.2397
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 54.692
InChI Key: KNQXQBNUAVSYCS-BKMJKUGQSA-N
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