[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyridin-3-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S997-0750 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-methylpyridin-3-yl)methanone |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C17 H25 N3 O4 S |
| Smiles: | Cc1c(cccn1)C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1679 |
| logD: | 0.1677 |
| logSw: | -2.3019 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.305 |
| InChI Key: | ASYAUFODEFVXNR-RHSMWYFYSA-N |