2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0205 |
| Compound Name: | 2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)thiophen-3-yl]-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: | Cc1cc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cccc(c2)C(F)(F)F)c(SC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8268 |
| logD: | 5.8268 |
| logSw: | -5.6625 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | HFDBKYYIQGYVQV-HXUWFJFHSA-N |