2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0613 |
| Compound Name: | 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-1-(2-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C29 H27 N3 O S2 |
| Smiles: | Cc1ccccc1N1C2CC(CC(C=2C(C(C#N)=C1N)c1cc(C)sc1SC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5097 |
| logD: | 6.5097 |
| logSw: | -5.6011 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.823 |
| InChI Key: | GHLNRGIZCWMQEN-UHFFFAOYSA-N |