ethyl 4-(3,5-dimethyl-1-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-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 7839-0008 |
| Compound Name: | ethyl 4-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1c(C)nn(c2ccccc2)c1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0416 |
| logD: | -0.1661 |
| logSw: | -4.0384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.093 |
| InChI Key: | XFJQDHDSKSAGME-DEOSSOPVSA-N |