1-(2-chloro-5-fluorophenyl)-5-methyl-N-{[(9aRS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
1-(2-chloro-5-fluorophenyl)-5-methyl-N-{[(9aRS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-4-carboxamide
1-(2-chloro-5-fluorophenyl)-5-methyl-N-{[(9aRS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y044-5046 |
| Compound Name: | 1-(2-chloro-5-fluorophenyl)-5-methyl-N-{[(9aRS)-octahydro-2H-quinolizin-1-yl]methyl}-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C21 H26 Cl F N4 O |
| Smiles: | Cc1c(cnn1c1cc(ccc1[Cl])F)C(NCC1CCCN2CCCC[C@H]12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.15 |
| logD: | 0.7122 |
| logSw: | -3.5661 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.766 |
| InChI Key: | BSRKOWKXVWEBEG-FUBQLUNQSA-N |