1-[rel-(3aR,7aS)-2-(1,2-dimethyl-1H-imidazole-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-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1318 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C15 H24 N4 O4 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)S(c1cn(C)c(C)n1)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8693 |
| logD: | -0.8693 |
| logSw: | -1.1488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.697 |
| InChI Key: | FLFZHPKMQVMBQP-UKRRQHHQSA-N |