{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Compound characteristics
| Compound ID: | S858-2014 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C15 H24 N2 O4 S |
| Smiles: | Cc1ccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6678 |
| logD: | -0.9845 |
| logSw: | -1.8939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.719 |
| InChI Key: | MQMZFHFJEKIMEA-UKRRQHHQSA-N |