{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methoxyphenyl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methoxyphenyl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methoxyphenyl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol
Compound characteristics
| Compound ID: | S858-2087 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(3-methoxyphenyl)methyl]octahydro-3aH-pyrrolo[3,4-c]pyridin-3a-yl}methanol |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C17 H26 N2 O4 S |
| Smiles: | COc1cccc(CN2CC[C@H]3CN(C[C@]3(C2)CO)S(C)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9642 |
| logD: | -1.6071 |
| logSw: | -2.1303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60 |
| InChI Key: | HVBQANMVTOYXHT-NVXWUHKLSA-N |