[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1066 |
| Compound Name: | [rel-(3aR,7aS)-5-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C18 H26 N2 O4 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)Cc1ccc2c(CCO2)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9024 |
| logD: | -0.7906 |
| logSw: | -2.0924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.694 |
| InChI Key: | SOODYGLVMUMYFV-SJLPKXTDSA-N |