4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S947-0179 |
Compound Name: | 4-[rel-(3aR,7aR)-5-(3,5-dimethylbenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 471.52 |
Molecular Formula: | C26 H28 F3 N3 O2 |
Smiles: | Cc1cc(C)cc(c1)C(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
Stereo: | RELATIVE |
logP: | 4.2344 |
logD: | 4.2344 |
logSw: | -4.3359 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 45.714 |
InChI Key: | UDDQDADKLCBEDX-PXDATVDWSA-N |