2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0208 |
| Compound Name: | 2-amino-4-[3-(ethylsulfanyl)thiophen-2-yl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 503.61 |
| Molecular Formula: | C25 H24 F3 N3 O S2 |
| Smiles: | CCSc1ccsc1C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3714 |
| logD: | 5.3714 |
| logSw: | -5.4931 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | AVZPOHZVQKAHQU-HXUWFJFHSA-N |