[rel-(3aR,7aS)-5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1153 |
| Compound Name: | [rel-(3aR,7aS)-5-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C17 H22 Cl F3 N2 O3 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1cc(ccc1[Cl])C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4699 |
| logD: | 2.3663 |
| logSw: | -3.2099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.456 |
| InChI Key: | YLCJZIXRQIUTAS-GOEBONIOSA-N |