4-{1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
4-{1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4-{1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y500-4916 |
| Compound Name: | 4-{1-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 578.11 |
| Molecular Formula: | C34 H32 Cl N5 O2 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cn(Cc2ccc(cc2)[Cl])nc1c1ccccc1)C(Nc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.03 |
| logD: | 4.0789 |
| logSw: | -6.1896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.408 |
| InChI Key: | CHCYCPQGPFJEAA-PMERELPUSA-N |