4-[rel-(3aR,7aR)-5-(2,4-difluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(2,4-difluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(2,4-difluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
Compound ID: | S947-0187 |
Compound Name: | 4-[rel-(3aR,7aR)-5-(2,4-difluorobenzoyl)-3a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
Molecular Weight: | 479.45 |
Molecular Formula: | C24 H22 F5 N3 O2 |
Smiles: | COC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1ccc(cc1F)F)=O |
Stereo: | RELATIVE |
logP: | 3.9068 |
logD: | 3.9068 |
logSw: | -3.9325 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 45.714 |
InChI Key: | MFUDQSTUSTZQLS-WAIKUNEKSA-N |