2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0301 |
| Compound Name: | 2-amino-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-7-phenyl-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C27 H24 N4 O S2 |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CC(CC(C2=3)=O)c2ccccc2)c2cccnc2)c(SC)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0806 |
| logD: | 5.0806 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.641 |
| InChI Key: | JSZYLJNPXONONP-UHFFFAOYSA-N |