4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile

Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Available: 35 mg
Amount:
mg
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Compound characteristics

Compound ID: S947-0380
Compound Name: 4-{rel-(3aR,7aR)-5-acetyl-3a-[(cyclopropylmethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Molecular Weight: 421.46
Molecular Formula: C22 H26 F3 N3 O2
Smiles: CC(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O
Stereo: RACEMIC MIXTURE (RELATIVE)
logP: 3.1799
logD: 3.1799
logSw: -3.1871
Hydrogen bond acceptors count: 4
Polar surface area: 46.715
InChI Key: IARLDSAVQOTSQA-WIYYLYMNSA-N
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