[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
[rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | S997-0723 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methyl-1,2-oxazol-3-yl)methanone |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C15 H23 N3 O5 S |
| Smiles: | Cc1cc(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)COC)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4 |
| logD: | 0.4 |
| logSw: | -1.5874 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.909 |
| InChI Key: | SMPDKFULQDSKMI-IUODEOHRSA-N |