{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0632 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(thiophen-3-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 330.47 |
| Molecular Formula: | C14 H22 N2 O3 S2 |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1ccsc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6168 |
| logD: | -1.2128 |
| logSw: | -1.8928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.474 |
| InChI Key: | YQASHSQQQJYZOS-ZIAGYGMSSA-N |