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

Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Available: 19 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: S947-0179
Compound Name: 4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 471.52
Molecular Formula: C26 H28 F3 N3 O2
Smiles: Cc1cc(C)cc(c1)C(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O
Stereo: RELATIVE
logP: 4.2344
logD: 4.2344
logSw: -4.3359
Hydrogen bond acceptors count: 4
Polar surface area: 45.714
InChI Key: UDDQDADKLCBEDX-PXDATVDWSA-N
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