3-[3,5-dimethyl-1-(2-methylprop-2-en-1-yl)-1H-pyrazol-4-yl]-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}propanamide
Chemical Structure Depiction of
3-[3,5-dimethyl-1-(2-methylprop-2-en-1-yl)-1H-pyrazol-4-yl]-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}propanamide
3-[3,5-dimethyl-1-(2-methylprop-2-en-1-yl)-1H-pyrazol-4-yl]-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}propanamide
Compound characteristics
| Compound ID: | Y044-4518 |
| Compound Name: | 3-[3,5-dimethyl-1-(2-methylprop-2-en-1-yl)-1H-pyrazol-4-yl]-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}propanamide |
| Molecular Weight: | 372.55 |
| Molecular Formula: | C22 H36 N4 O |
| Smiles: | CC(=C)Cn1c(C)c(CCC(NC[C@@H]2CCCN3CCCC[C@H]23)=O)c(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8156 |
| logD: | -0.68 |
| logSw: | -2.0054 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.342 |
| InChI Key: | LMHLQTBXEIVBIM-CTNGQTDRSA-N |