1-[rel-(3aR,7aR)-5-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1722 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C18 H28 N4 O3 |
| Smiles: | CCn1cc(C(N2CC[C@]3(CN(C[C@H]3C2)C(C)=O)COC)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0802 |
| logD: | -0.0802 |
| logSw: | -0.871 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.448 |
| InChI Key: | LAAWSOLBBQGFPP-MAUKXSAKSA-N |