[rel-(3aR,7aR)-2-benzyl-5-(4-ethylbenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(4-ethylbenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(4-ethylbenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1872 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(4-ethylbenzene-1-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C23 H30 N2 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5317 |
| logD: | 0.2355 |
| logSw: | -3.4516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.692 |
| InChI Key: | ZDXLUYHRYWOPQN-FYYLOGMGSA-N |