{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(pyridin-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(pyridin-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(pyridin-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0646 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(pyridin-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C15 H23 N3 O3 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4092 |
| logD: | -0.8688 |
| logSw: | -1.095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.974 |
| InChI Key: | ZPFUTKLISGXUJE-HUUCEWRRSA-N |