1-[rel-(3aR,7aR)-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0820 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(c1cn(C)c(C)n1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2393 |
| logD: | -0.2393 |
| logSw: | -1.0875 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.006 |
| InChI Key: | JMHVUYQIWUDFCF-GDBMZVCRSA-N |