4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-5594 |
| Compound Name: | 4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 374.87 |
| Molecular Formula: | C23 H19 Cl N2 O |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.035 |
| logD: | 1.9411 |
| logSw: | -5.4772 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.706 |
| InChI Key: | ZWACPOASERSGFC-UHFFFAOYSA-N |