[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methylpyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methylpyridin-2-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methylpyridin-2-yl)methanone
Compound characteristics
| Compound ID: | S858-2399 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](6-methylpyridin-2-yl)methanone |
| Molecular Weight: | 365.47 |
| Molecular Formula: | C22 H27 N3 O2 |
| Smiles: | Cc1cccc(C(N2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)CO)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0466 |
| logD: | -1.5659 |
| logSw: | -2.069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.051 |
| InChI Key: | VNGPPTMEBQSMKN-KNQAVFIVSA-N |