1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1621 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C17 H27 N3 O5 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(c1c(C)noc1C)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2819 |
| logD: | 0.2819 |
| logSw: | -1.3513 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.329 |
| InChI Key: | BIBRYVXMLBEVSR-NVXWUHKLSA-N |