4-[rel-(3aR,7aS)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/1)
4-[rel-(3aR,7aS)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S948-5575 |
| Compound Name: | 4-[rel-(3aR,7aS)-7a-(ethoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 389.85 |
| Molecular Formula: | C18 H22 F3 N3 O |
| Salt: | HCl |
| Smiles: | [H]N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COCC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0033 |
| logD: | -0.7951 |
| logSw: | -2.8313 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.851 |
| InChI Key: | QGCIXJWYQCRXJB-WMLDXEAASA-N |