4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0417 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(2-methoxyethoxy)methyl]-5-(propane-2-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C22 H30 F3 N3 O4 S |
| Smiles: | CC(C)S(N1CC[C@@H]2CN(C[C@@]2(C1)COCCOC)c1ccc(C#N)c(c1)C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4201 |
| logD: | 2.4201 |
| logSw: | -2.9669 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.32 |
| InChI Key: | YVIAONKHYTXPER-NQIIRXRSSA-N |