(2,6-dimethoxypyridin-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,6-dimethoxypyridin-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,6-dimethoxypyridin-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-2009 |
| Compound Name: | (2,6-dimethoxypyridin-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C17 H25 N3 O6 S |
| Smiles: | COc1ccc(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)c(n1)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6406 |
| logD: | 0.6406 |
| logSw: | -2.3134 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.733 |
| InChI Key: | DKWLLFGVINSFMF-SJKOYZFVSA-N |