4-[rel-(3aR,7aS)-2-(furan-3-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-2-(furan-3-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-2-(furan-3-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0157 |
| Compound Name: | 4-[rel-(3aR,7aS)-2-(furan-3-carbonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C22 H22 F3 N3 O3 |
| Smiles: | COC[C@]12CCN(C[C@@H]2CN(C1)C(c1ccoc1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7201 |
| logD: | 2.7201 |
| logSw: | -3.0378 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.517 |
| InChI Key: | CLKBRLRICZPVAT-LAUBAEHRSA-N |