2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0291 |
| Compound Name: | 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C21 H20 N4 O S2 |
| Smiles: | CCSc1c(ccs1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1443 |
| logD: | 3.1443 |
| logSw: | -3.1488 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.913 |
| InChI Key: | YSYHHDIBHHSZOH-GOSISDBHSA-N |