[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-0692 |
| Compound Name: | [rel-(3aR,7aS)-5-[(1-ethyl-1H-indol-3-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C20 H29 N3 O3 S |
| Smiles: | CCn1cc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4378 |
| logD: | -2.5944 |
| logSw: | -2.0661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.184 |
| InChI Key: | IBFJTQJRZZLECQ-YLJYHZDGSA-N |