[rel-(3aR,7aS)-2-benzyl-5-{[2-(trifluoromethyl)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-benzyl-5-{[2-(trifluoromethyl)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-benzyl-5-{[2-(trifluoromethyl)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1804 |
| Compound Name: | [rel-(3aR,7aS)-2-benzyl-5-{[2-(trifluoromethyl)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H27 F3 N2 O |
| Smiles: | C1CN(Cc2ccccc2C(F)(F)F)C[C@@H]2CN(Cc3ccccc3)C[C@]12CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8178 |
| logD: | 0.2515 |
| logSw: | -4.0139 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.7135 |
| InChI Key: | IWXCCLFODYRKRY-RBBKRZOGSA-N |