2-cyclohexyl-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclohexyl-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
2-cyclohexyl-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S858-6350 |
| Compound Name: | 2-cyclohexyl-1-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C17 H30 N2 O4 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(CC1CCCCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.474 |
| logD: | 1.474 |
| logSw: | -1.7692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.036 |
| InChI Key: | XFZNUBMBKGYDSI-NVXWUHKLSA-N |