1-[rel-(3aR,7aS)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1421 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 392.42 |
| Molecular Formula: | C15 H22 F2 N4 O4 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1cnn(C(F)F)c1C)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8042 |
| logD: | -0.8042 |
| logSw: | -1.1362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.933 |
| InChI Key: | SWXIZOZHRJSKLA-IUODEOHRSA-N |