[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-ethoxyphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-ethoxyphenyl)methanone
[rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-ethoxyphenyl)methanone
Compound characteristics
| Compound ID: | S997-0511 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](2-ethoxyphenyl)methanone |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C24 H30 N2 O3 |
| Smiles: | CCOc1ccccc1C(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6067 |
| logD: | -1.0059 |
| logSw: | -2.9635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.839 |
| InChI Key: | QYOXSMCDBPDLOE-HYBUGGRVSA-N |