4-[rel-(3aR,7aR)-5-[(1H-indol-3-yl)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-[(1H-indol-3-yl)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Available: 12 mg
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mg
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Compound characteristics

Compound ID: S947-0190
Compound Name: 4-[rel-(3aR,7aR)-5-[(1H-indol-3-yl)acetyl]-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 496.53
Molecular Formula: C27 H27 F3 N4 O2
Smiles: COC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1c[nH]c2ccccc12)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 3.9755
logD: 3.9755
logSw: -4.1331
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 55.057
InChI Key: ARRMXMZKHFUOHY-FQRUVTKNSA-N
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