[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][2-(phenoxymethyl)phenyl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][2-(phenoxymethyl)phenyl]methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][2-(phenoxymethyl)phenyl]methanone
Compound characteristics
| Compound ID: | CM2432-1402 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-5-(2-methylpropyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl][2-(phenoxymethyl)phenyl]methanone |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C26 H34 N2 O3 |
| Smiles: | CC(C)CN1CC[C@@]2(CN(C[C@@H]2C1)C(c1ccccc1COc1ccccc1)=O)CO |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6001 |
| logD: | 0.8572 |
| logSw: | -3.4878 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.128 |
| InChI Key: | GRKMZOWOIVVYKR-ATIYNZHBSA-N |