{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Compound characteristics
| Compound ID: | S996-0305 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C14 H22 N2 O3 S2 |
| Smiles: | CS(N1C[C@H]2CCN(Cc3cccs3)C[C@]2(C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7376 |
| logD: | -0.2422 |
| logSw: | -1.8679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.474 |
| InChI Key: | SKVZXHHUQLKWOW-TZMCWYRMSA-N |