1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S616-0091 |
| Compound Name: | 1-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octan-3-yl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C20 H26 N4 O |
| Smiles: | Cc1cc(C)n(CC(N2CC[C@@H]3CN(Cc4ccccc4)[C@@H]3C2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2866 |
| logD: | -0.7279 |
| logSw: | -1.8448 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.48 |
| InChI Key: | WUJWJOPWEGNMGQ-OALUTQOASA-N |