[rel-(3aR,7aR)-2-benzyl-5-(3-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(3-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(3-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1865 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(3-methoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | COc1cccc(c1)S(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5807 |
| logD: | -0.7155 |
| logSw: | -2.7417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.236 |
| InChI Key: | MKXDZJVRQGHSJY-DENIHFKCSA-N |