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

Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-ethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Available: 13 mg
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mg
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Compound characteristics

Compound ID: S948-0506
Compound Name: 4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(4-ethylbenzoyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 485.55
Molecular Formula: C27 H30 F3 N3 O2
Smiles: CCc1ccc(cc1)C(N1C[C@H]2CN(CC[C@]2(C1)COCC)c1ccc(C#N)c(c1)C(F)(F)F)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 4.6777
logD: 4.6777
logSw: -4.4379
Hydrogen bond acceptors count: 4
Polar surface area: 45.349
InChI Key: LMVRSYAOXDUXSZ-BKMJKUGQSA-N
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