4-{rel-(3aR,7aR)-5-(methanesulfonyl)-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-(methanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-5-(methanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0447 |
| Compound Name: | 4-{rel-(3aR,7aR)-5-(methanesulfonyl)-3a-[(2-methoxyethoxy)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C20 H26 F3 N3 O4 S |
| Smiles: | COCCOC[C@@]12CN(C[C@H]2CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 1.5598 |
| logD: | 1.5598 |
| logSw: | -2.4947 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.812 |
| InChI Key: | CLPGXWIIIOCBGP-APWZRJJASA-N |