[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1039 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[4-(trifluoromethoxy)phenyl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 408.44 |
| Molecular Formula: | C17 H23 F3 N2 O4 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1ccc(cc1)OC(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0952 |
| logD: | 1.3526 |
| logSw: | -2.4069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.393 |
| InChI Key: | OUVXWBLHCYWPHF-GDBMZVCRSA-N |