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

Chemical Structure Depiction of
4-[rel-(3aR,7aS)-2-(cyclopropylacetyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Available: 43 mg
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mg
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Compound characteristics

Compound ID: S948-0090
Compound Name: 4-[rel-(3aR,7aS)-2-(cyclopropylacetyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 407.43
Molecular Formula: C21 H24 F3 N3 O2
Smiles: [H]OC[C@]12CCN(C[C@@H]2CN(C1)C(CC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 2.3861
logD: 2.3861
logSw: -2.9335
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 1
Polar surface area: 54.401
InChI Key: KPJHMSRMRWNWOJ-OXJNMPFZSA-N
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