4-{rel-(3aR,7aR)-3a-(ethoxymethyl)-5-[(4-fluorophenyl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-3a-(ethoxymethyl)-5-[(4-fluorophenyl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-3a-(ethoxymethyl)-5-[(4-fluorophenyl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0545 |
| Compound Name: | 4-{rel-(3aR,7aR)-3a-(ethoxymethyl)-5-[(4-fluorophenyl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C26 H27 F4 N3 O2 |
| Smiles: | CCOC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2076 |
| logD: | 4.2076 |
| logSw: | -4.2101 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.821 |
| InChI Key: | LOKYIZHIZNXGPE-CJFMBICVSA-N |