[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-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](3-methyl-1H-pyrazol-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S858-2382 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | Cc1cc(C(N2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)CO)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 1.4526 |
| logD: | -2.16 |
| logSw: | -2.0429 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.197 |
| InChI Key: | CFMWZYYEKUJLET-XLIONFOSSA-N |