1-[rel-(3aR,7aR)-5-(1-ethyl-1H-pyrazole-3-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-1H-pyrazole-3-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(1-ethyl-1H-pyrazole-3-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1725 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(1-ethyl-1H-pyrazole-3-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: | CCn1ccc(C(N2CC[C@]3(CN(C[C@H]3C2)C(C)=O)COC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.095 |
| logD: | -0.095 |
| logSw: | -1.1764 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.978 |
| InChI Key: | UDHCPWORUWFXGW-WMLDXEAASA-N |