[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-5-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-pyrazol-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S858-2460 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cn1c(ccn1)C(N1CC[C@H]2CN(Cc3ccccc3)C[C@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8846 |
| logD: | -2.728 |
| logSw: | -1.1793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.279 |
| InChI Key: | ZWDVZOVYQRKGOI-XLIONFOSSA-N |