(2,5-difluorophenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,5-difluorophenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,5-difluorophenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S996-0222 |
| Compound Name: | (2,5-difluorophenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C16 H20 F2 N2 O4 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1cc(ccc1F)F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.83 |
| logD: | 0.83 |
| logSw: | -2.3747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.372 |
| InChI Key: | HLZXPMQZDLZDKO-BDJLRTHQSA-N |