[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Compound characteristics
| Compound ID: | S997-0709 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone |
| Molecular Weight: | 387.45 |
| Molecular Formula: | C16 H25 N3 O6 S |
| Smiles: | Cc1c(COC)c(C(N2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6407 |
| logD: | -0.6407 |
| logSw: | -1.072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.027 |
| InChI Key: | ISTPXTKKBXTPJQ-MLGOLLRUSA-N |