[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methoxy-2-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methoxy-2-methylphenyl)methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methoxy-2-methylphenyl)methanone
Compound characteristics
| Compound ID: | CM2432-1447 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](3-methoxy-2-methylphenyl)methanone |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C21 H32 N2 O3 |
| Smiles: | CC(C)CN1CC[C@@]2(CN(C[C@@H]2C1)C(c1cccc(c1C)OC)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5825 |
| logD: | -0.1604 |
| logSw: | -2.8928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.531 |
| InChI Key: | ZWJRZAKEUFXMJZ-DYESRHJHSA-N |