[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | S858-1899 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](4-methyl-1,3-oxazol-5-yl)methanone |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C14 H21 N3 O5 S |
| Smiles: | Cc1c(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8236 |
| logD: | -0.8236 |
| logSw: | -1.268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.286 |
| InChI Key: | KXCWJKGFHUDKDX-BXUZGUMPSA-N |