1-[rel-(3aR,7aR)-5-(3,4-difluorobenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(3,4-difluorobenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(3,4-difluorobenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1671 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(3,4-difluorobenzene-1-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C17 H22 F2 N2 O4 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(c1ccc(c(c1)F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6644 |
| logD: | 1.6644 |
| logSw: | -2.5191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.656 |
| InChI Key: | HAYNHUNCFJUTCZ-CXAGYDPISA-N |