methyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6758 |
| Compound Name: | methyl 4-{1-[(2,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazol-4-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 522.43 |
| Molecular Formula: | C28 H25 Cl2 N3 O3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cn(Cc2ccc(cc2[Cl])[Cl])nc1c1ccccc1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6778 |
| logD: | 1.8615 |
| logSw: | -5.8427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.876 |
| InChI Key: | ONSVFZMLFDSCTI-VWLOTQADSA-N |