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4-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile

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

Compound ID: S947-0111
Compound Name: 4-[rel-(3aR,7aR)-3a-(hydroxymethyl)-5-(1-methyl-1H-pyrrole-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 432.44
Molecular Formula: C22 H23 F3 N4 O2
Smiles: [H]OC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cccn1C)=O
Stereo: RELATIVE
logP: 2.9675
logD: 2.9675
logSw: -3.0915
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 56.822
InChI Key: PPLWOMBNJCQLDB-IIBYNOLFSA-N
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