1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S858-2047 |
| Compound Name: | 1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C16 H23 N3 O4 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(Cc1cccnc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5646 |
| logD: | -0.5731 |
| logSw: | -1.1182 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.362 |
| InChI Key: | QAPDIBRLMGYLLD-GDBMZVCRSA-N |