2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0362 |
| Compound Name: | 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C24 H24 F N3 O S2 |
| Smiles: | CCc1cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccccc2F)c(SCC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1905 |
| logD: | 5.1905 |
| logSw: | -5.0425 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | RFPJMZKPCDIWRU-OAQYLSRUSA-N |