4-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(6-methoxypyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(6-methoxypyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Available: 58 mg
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mg
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Compound characteristics

Compound ID: S947-0069
Compound Name: 4-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(6-methoxypyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 460.45
Molecular Formula: C23 H23 F3 N4 O3
Smiles: [H]OC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(nc1)OC)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.3728
logD: 2.3728
logSw: -2.7752
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 70.987
InChI Key: FQGAYPIETDIZGN-VGOFRKELSA-N
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