[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methyl-1,2-oxazol-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-1,2-oxazol-5-yl)methanone
[rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methyl-1,2-oxazol-5-yl)methanone
Compound characteristics
| Compound ID: | S858-2375 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-3a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](3-methyl-1,2-oxazol-5-yl)methanone |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C20 H25 N3 O3 |
| Smiles: | Cc1cc(C(N2CC[C@H]3CN(Cc4ccccc4)C[C@]3(C2)CO)=O)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5764 |
| logD: | -2.0362 |
| logSw: | -1.8122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.242 |
| InChI Key: | KMJZMGPFTQZHTQ-XLIONFOSSA-N |