1-[rel-(3aR,7aS)-2-(3,4-difluorobenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,4-difluorobenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,4-difluorobenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1338 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,4-difluorobenzene-1-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C16 H20 F2 N2 O4 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1ccc(c(c1)F)F)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0344 |
| logD: | 1.0344 |
| logSw: | -2.3407 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.347 |
| InChI Key: | QEOJFHBBKSITNU-MLGOLLRUSA-N |