2-ethyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]butan-1-one
2-ethyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]butan-1-one
Compound characteristics
| Compound ID: | S997-1195 |
| Compound Name: | 2-ethyl-1-[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]butan-1-one |
| Molecular Weight: | 346.49 |
| Molecular Formula: | C16 H30 N2 O4 S |
| Smiles: | CCC(CC)C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3649 |
| logD: | 1.3649 |
| logSw: | -1.6247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.952 |
| InChI Key: | OLNXYXZUUWTHFX-GDBMZVCRSA-N |