ethyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
Compound ID: | Y500-6759 |
Compound Name: | ethyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
Molecular Weight: | 564.51 |
Molecular Formula: | C31 H31 Cl2 N3 O3 |
Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cn(Cc2ccc(cc2[Cl])[Cl])nc1c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.7239 |
logD: | 2.5162 |
logSw: | -6.2395 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.456 |
InChI Key: | WGCGFJBJVVMPGW-MHZLTWQESA-N |