2-amino-1-(2,6-difluorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,6-difluorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,6-difluorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0560 |
| Compound Name: | 2-amino-1-(2,6-difluorophenyl)-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 471.59 |
| Molecular Formula: | C24 H23 F2 N3 O S2 |
| Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2c(cccc2F)F)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5192 |
| logD: | 5.5192 |
| logSw: | -5.3075 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.793 |
| InChI Key: | QSUQLNKJEDPCDZ-HXUWFJFHSA-N |