4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-0574 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1,3-thiazole-4-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 464.51 |
| Molecular Formula: | C22 H23 F3 N4 O2 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)C(c1cscn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1006 |
| logD: | 3.1005 |
| logSw: | -3.2165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.977 |
| InChI Key: | RXDOVPOOKOMSEF-IIBYNOLFSA-N |