[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(trifluoromethoxy)phenyl]methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | S858-5933 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C17 H21 F3 N2 O5 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(c1ccc(cc1)OC(F)(F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5465 |
| logD: | 1.5465 |
| logSw: | -2.1777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.308 |
| InChI Key: | CLAMLWRTCXZAKP-CZUORRHYSA-N |