4-{rel-(3aR,7aS)-7a-(methoxymethyl)-2-[(3-methylphenyl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-7a-(methoxymethyl)-2-[(3-methylphenyl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-7a-(methoxymethyl)-2-[(3-methylphenyl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0277 |
| Compound Name: | 4-{rel-(3aR,7aS)-7a-(methoxymethyl)-2-[(3-methylphenyl)acetyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 471.52 |
| Molecular Formula: | C26 H28 F3 N3 O2 |
| Smiles: | Cc1cccc(CC(N2C[C@H]3CN(CC[C@]3(C2)COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3889 |
| logD: | 4.3889 |
| logSw: | -4.4124 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.187 |
| InChI Key: | DILBGWYJMUWJJZ-SQJMNOBHSA-N |