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

Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3,4-dimethylbenzoyl)-3a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Available: 71 mg
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mg
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Compound characteristics

Compound ID: S947-0518
Compound Name: 4-[rel-(3aR,7aR)-5-(3,4-dimethylbenzoyl)-3a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Molecular Weight: 485.55
Molecular Formula: C27 H30 F3 N3 O2
Smiles: CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(C)c(C)c1)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 4.7128
logD: 4.7128
logSw: -4.477
Hydrogen bond acceptors count: 4
Polar surface area: 45.349
InChI Key: PTCXCBPDYLEMFV-ATIYNZHBSA-N
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