[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S858-2372 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | Cn1cccc1C(N1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.392 |
| logD: | -1.2205 |
| logSw: | -2.2657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.046 |
| InChI Key: | DFCGQEVOSWVRPG-NQIIRXRSSA-N |