[rel-(3aR,7aR)-2-benzyl-5-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1883 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(2,5-dimethoxybenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4218 |
| logD: | -0.8744 |
| logSw: | -2.5858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.866 |
| InChI Key: | YWOOFNQYRGNWLM-AUSIDOKSSA-N |