4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0423 |
| Compound Name: | 4-{rel-(3aR,7aS)-3a-[(2-methoxyethoxy)methyl]-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 474.53 |
| Molecular Formula: | C25 H29 F3 N4 O2 |
| Smiles: | COCCOC[C@]12CN(CC[C@@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)Cc1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2077 |
| logD: | 1.8977 |
| logSw: | -2.4027 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.588 |
| InChI Key: | DHWDRQVGMDIRCP-ZJSXRUAMSA-N |