{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0653 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 327.44 |
| Molecular Formula: | C15 H25 N3 O3 S |
| Smiles: | Cn1cccc1CN1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3 |
| logD: | -0.1887 |
| logSw: | -1.7615 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.354 |
| InChI Key: | IQKLNZCZYOLOHE-UKRRQHHQSA-N |