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

Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Available: 1 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: S948-0036
Compound Name: 4-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(5-methylthiophene-2-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 449.49
Molecular Formula: C22 H22 F3 N3 O2 S
Smiles: [H]OC[C@]12CCN(C[C@@H]2CN(C1)C(c1ccc(C)s1)=O)c1ccc(C#N)c(c1)C(F)(F)F
Stereo: RELATIVE
logP: 3.6177
logD: 3.6177
logSw: -3.7465
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 55.424
InChI Key: GCTIFFDOCGZQMP-IIBYNOLFSA-N
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