1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1764 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(pyrimidine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.054 |
| logD: | -1.054 |
| logSw: | -0.4707 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.028 |
| InChI Key: | XYIVSPSGKBBSBR-XJKSGUPXSA-N |