1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0824 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(5-methyl-1,2-oxazole-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 321.37 |
| Molecular Formula: | C16 H23 N3 O4 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1cc(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5384 |
| logD: | 0.5384 |
| logSw: | -0.7997 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.821 |
| InChI Key: | DHGCDSVYKOCXIV-XJKSGUPXSA-N |