1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0912 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C17 H26 N4 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(c1cc(C)nn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3728 |
| logD: | -0.3728 |
| logSw: | -0.4309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.915 |
| InChI Key: | ZEOABNKGXRQWPP-WMLDXEAASA-N |