ethyl 4-{1-[(4-bromophenyl)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-[(4-bromophenyl)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-[(4-bromophenyl)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: | Y500-7518 |
| Compound Name: | ethyl 4-{1-[(4-bromophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 574.52 |
| Molecular Formula: | C31 H32 Br N3 O3 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1cn(Cc2ccc(cc2)[Br])nc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1555 |
| logD: | 1.9479 |
| logSw: | -5.4741 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.456 |
| InChI Key: | GEEMMAFOQCFWSG-MHZLTWQESA-N |