2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-1228 |
| Compound Name: | 2-amino-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C24 H20 F3 N3 O S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6428 |
| logD: | 4.6428 |
| logSw: | -4.737 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.377 |
| InChI Key: | DDQDOZIRAIJXCM-OAQYLSRUSA-N |