{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0626 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methylthiophen-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 344.49 |
| Molecular Formula: | C15 H24 N2 O3 S2 |
| Smiles: | Cc1ccsc1CN1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1907 |
| logD: | 0.5641 |
| logSw: | -1.9777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.474 |
| InChI Key: | WDRDTJPQWMFDAJ-UKRRQHHQSA-N |