1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1568 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(ethoxymethyl)-2-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C16 H26 N4 O4 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(c1cn(C)cn1)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3114 |
| logD: | -0.3114 |
| logSw: | -1.3637 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.702 |
| InChI Key: | BZQBXWWMRAOOLK-GDBMZVCRSA-N |