[rel-(3aR,7aS)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1156 |
| Compound Name: | [rel-(3aR,7aS)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C18 H27 Cl N2 O5 S |
| Smiles: | COc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)c(c1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5038 |
| logD: | -0.0577 |
| logSw: | -2.5585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.803 |
| InChI Key: | ZUSWRQVRHLXRAI-KBXCAEBGSA-N |