5-(2,5-dimethoxyphenyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(2,5-dimethoxyphenyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-3-carboxamide
5-(2,5-dimethoxyphenyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y043-5961 |
| Compound Name: | 5-(2,5-dimethoxyphenyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | COc1ccc(c(c1)c1cc(C(NC[C@@H]2CCCN3CCCC[C@H]23)=O)n[nH]1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3948 |
| logD: | -0.043 |
| logSw: | -2.9601 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | JEDHFMAFNADSEX-QRWLVFNGSA-N |