1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0845 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C15 H24 N4 O4 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5829 |
| logD: | -0.5829 |
| logSw: | -1.3459 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.067 |
| InChI Key: | ZSWAXDAMAIGDBV-UKRRQHHQSA-N |