1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S997-1770 |
| Compound Name: | 1-[rel-(3aR,7aR)-2-acetyl-7a-(methoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C19 H30 N4 O3 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)C(CCn1c(C)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4031 |
| logD: | -0.4033 |
| logSw: | -0.4107 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.051 |
| InChI Key: | UCCWQFIJNUYYTI-PKOBYXMFSA-N |