(2,3-dimethoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(2,3-dimethoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(2,3-dimethoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-1998 |
| Compound Name: | (2,3-dimethoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C18 H26 N2 O6 S |
| Smiles: | COc1cccc(C(N2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3426 |
| logD: | 0.3426 |
| logSw: | -2.3138 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.719 |
| InChI Key: | CDGDENQFYKXDIO-FZKQIMNGSA-N |