4-{rel-(3aR,7aR)-5-(ethanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-5-(ethanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(ethanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0402 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(ethanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C21 H28 F3 N3 O4 S |
| Smiles: | CCS(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: | 1.8797 |
| logD: | 1.8797 |
| logSw: | -2.7995 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.214 |
| InChI Key: | DHNFZFIZLVTXPE-XLIONFOSSA-N |