4-[rel-(3aR,7aR)-5-(3-fluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3-fluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Available: 17 mg
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mg
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Compound characteristics

Compound ID: S947-0180
Compound Name: 4-[rel-(3aR,7aR)-5-(3-fluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 461.46
Molecular Formula: C24 H23 F4 N3 O2
Smiles: COC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cccc(c1)F)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 3.4887
logD: 3.4887
logSw: -3.6649
Hydrogen bond acceptors count: 4
Polar surface area: 45.714
InChI Key: BRWNIGZRZXRBAC-WZONZLPQSA-N
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