1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methylbutan-1-one
1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S997-1197 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-methylbutan-1-one |
| Molecular Weight: | 332.46 |
| Molecular Formula: | C15 H28 N2 O4 S |
| Smiles: | CC(C)CC(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8243 |
| logD: | 0.8243 |
| logSw: | -1.5205 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.424 |
| InChI Key: | XAHZQGGSIZVESY-UKRRQHHQSA-N |